2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea

C200H225N43O27 — CID 157369808

IUPAC2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea
SMILESCc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CC5COC5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CCC(=O)N5CCC6(CC5)COC6)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CCCN5CCC6(CC5)COC6)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CN5CC[C@@H](N(C)C)C5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CN5CC[C@H](N(C)C)C5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)N5CC6(COC6)C5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)NC5COC5)cn4n3)ccc2C)n(C)c1
InChIInChI=1S/C32H36N6O5.C32H38N6O4.2C29H35N7O3.C27H28N6O4.C26H27N5O4.C25H26N6O4/c1-21-14-25(36(3)17-21)26(39)16-23-15-24(5-4-22(23)2)43-30-8-6-28-33-27(18-38(28)35-30)34-29(40)7-9-31(41)37-12-10-32(11-13-37)19-42-20-32;1-22-15-26(36(3)18-22)27(39)17-24-16-25(7-6-23(24)2)42-31-9-8-29-33-28(19-38(29)35-31)34-30(40)5-4-12-37-13-10-32(11-14-37)20-41-21-32;2*1-19-12-24(34(5)15-19)25(37)14-21-13-23(7-6-20(21)2)39-29-9-8-27-30-26(17-36(27)32-29)31-28(38)18-35-11-10-22(16-35)33(3)4;1-17-8-21(31(3)11-17)22(34)10-19-9-20(5-4-18(19)2)37-25-7-6-24-28-23(12-33(24)30-25)29-26(35)32-13-27(14-32)15-36-16-27;1-16-8-21(30(3)12-16)22(32)11-19-10-20(5-4-17(19)2)35-26-7-6-24-27-23(13-31(24)29-26)28-25(33)9-18-14-34-15-18;1-15-8-20(30(3)11-15)21(32)10-17-9-19(5-4-16(17)2)35-24-7-6-23-27-22(12-31(23)29-24)28-25(33)26-18-13-34-14-18/h4-6,8,14-15,17-18H,7,9-13,16,19-20H2,1-3H3,(H,34,40);6-9,15-16,18-19H,4-5,10-14,17,20-21H2,1-3H3,(H,34,40);2*6-9,12-13,15,17,22H,10-11,14,16,18H2,1-5H3,(H,31,38);4-9,11-12H,10,13-16H2,1-3H3,(H,29,35);4-8,10,12-13,18H,9,11,14-15H2,1-3H3,(H,28,33);4-9,11-12,18H,10,13-14H2,1-3H3,(H2,26,28,33)/t;;2*22-;;;/m..10.../s1
InChIKeyBJPWHUWCJUIMMY-UUESHSQTSA-N
MW3663.27 g/mol
LogP27.01
Rot. Bonds58

About 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea

2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea (PubChem CID 157369808) has the molecular formula C200H225N43O27 and a molecular weight of 3663.27 g/mol. Its IUPAC name is 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea.

Molecular Properties

Compound Name2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea
PubChem CID157369808
Molecular FormulaC200H225N43O27
Molecular Weight3663.27 g/mol
Exact Mass3660.76
IUPAC Name2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea
SMILESCc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CC5COC5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CCC(=O)N5CCC6(CC5)COC6)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CCCN5CCC6(CC5)COC6)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CN5CC[C@@H](N(C)C)C5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CN5CC[C@H](N(C)C)C5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)N5CC6(COC6)C5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)NC5COC5)cn4n3)ccc2C)n(C)c1
InChIInChI=1S/C32H36N6O5.C32H38N6O4.2C29H35N7O3.C27H28N6O4.C26H27N5O4.C25H26N6O4/c1-21-14-25(36(3)17-21)26(39)16-23-15-24(5-4-22(23)2)43-30-8-6-28-33-27(18-38(28)35-30)34-29(40)7-9-31(41)37-12-10-32(11-13-37)19-42-20-32;1-22-15-26(36(3)18-22)27(39)17-24-16-25(7-6-23(24)2)42-31-9-8-29-33-28(19-38(29)35-31)34-30(40)5-4-12-37-13-10-32(11-14-37)20-41-21-32;2*1-19-12-24(34(5)15-19)25(37)14-21-13-23(7-6-20(21)2)39-29-9-8-27-30-26(17-36(27)32-29)31-28(38)18-35-11-10-22(16-35)33(3)4;1-17-8-21(31(3)11-17)22(34)10-19-9-20(5-4-18(19)2)37-25-7-6-24-28-23(12-33(24)30-25)29-26(35)32-13-27(14-32)15-36-16-27;1-16-8-21(30(3)12-16)22(32)11-19-10-20(5-4-17(19)2)35-26-7-6-24-27-23(13-31(24)29-26)28-25(33)9-18-14-34-15-18;1-15-8-20(30(3)11-15)21(32)10-17-9-19(5-4-16(17)2)35-24-7-6-23-27-22(12-31(23)29-24)28-25(33)26-18-13-34-14-18/h4-6,8,14-15,17-18H,7,9-13,16,19-20H2,1-3H3,(H,34,40);6-9,15-16,18-19H,4-5,10-14,17,20-21H2,1-3H3,(H,34,40);2*6-9,12-13,15,17,22H,10-11,14,16,18H2,1-5H3,(H,31,38);4-9,11-12H,10,13-16H2,1-3H3,(H,29,35);4-8,10,12-13,18H,9,11,14-15H2,1-3H3,(H,28,33);4-9,11-12,18H,10,13-14H2,1-3H3,(H2,26,28,33)/t;;2*22-;;;/m..10.../s1
InChIKeyBJPWHUWCJUIMMY-UUESHSQTSA-N
XLogP27.01
TPSA731.57 Ų
H-Bond Donors8
H-Bond Acceptors60
Rotatable Bonds58
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003663.27
LogP ≤ 527.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1060

Analyze 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 146410551
CID 146410551
CID 146411143
CID 146411143
CID 149898446
CID 149898446
CID 151878914
CID 151878914
CID 157093503
CID 157093503
CID 157339895
CID 157339895
CID 157401075
CID 157401075
CID 157406230
CID 157406230
CID 157486429
CID 157486429
CID 157487597
CID 157487597
CID 157542731
CID 157542731
CID 157920519
CID 157920519

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea?
The IUPAC name of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea (CID 157369808) is 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea.
What is the SMILES notation for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea?
The canonical SMILES for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea is Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CC5COC5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CCC(=O)N5CCC6(CC5)COC6)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CCCN5CCC6(CC5)COC6)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CN5CC[C@@H](N(C)C)C5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CN5CC[C@H](N(C)C)C5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)N5CC6(COC6)C5)cn4n3)ccc2C)n(C)c1.Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)NC5COC5)cn4n3)ccc2C)n(C)c1.
What is the InChIKey of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea?
The InChIKey is BJPWHUWCJUIMMY-UUESHSQTSA-N. The full InChI is InChI=1S/C32H36N6O5.C32H38N6O4.2C29H35N7O3.C27H28N6O4.C26H27N5O4.C25H26N6O4/c1-21-14-25(36(3)17-21)26(39)16-23-15-24(5-4-22(23)2)43-30-8-6-28-33-27(18-38(28)35-30)34-29(40)7-9-31(41)37-12-10-32(11-13-37)19-42-20-32;1-22-15-26(36(3)18-22)27(39)17-24-16-25(7-6-23(24)2)42-31-9-8-29-33-28(19-38(29)35-31)34-30(40)5-4-12-37-13-10-32(11-14-37)20-41-21-32;2*1-19-12-24(34(5)15-19)25(37)14-21-13-23(7-6-20(21)2)39-29-9-8-27-30-26(17-36(27)32-29)31-28(38)18-35-11-10-22(16-35)33(3)4;1-17-8-21(31(3)11-17)22(34)10-19-9-20(5-4-18(19)2)37-25-7-6-24-28-23(12-33(24)30-25)29-26(35)32-13-27(14-32)15-36-16-27;1-16-8-21(30(3)12-16)22(32)11-19-10-20(5-4-17(19)2)35-26-7-6-24-27-23(13-31(24)29-26)28-25(33)9-18-14-34-15-18;1-15-8-20(30(3)11-15)21(32)10-17-9-19(5-4-16(17)2)35-24-7-6-23-27-22(12-31(23)29-24)28-25(33)26-18-13-34-14-18/h4-6,8,14-15,17-18H,7,9-13,16,19-20H2,1-3H3,(H,34,40);6-9,15-16,18-19H,4-5,10-14,17,20-21H2,1-3H3,(H,34,40);2*6-9,12-13,15,17,22H,10-11,14,16,18H2,1-5H3,(H,31,38);4-9,11-12H,10,13-16H2,1-3H3,(H,29,35);4-8,10,12-13,18H,9,11,14-15H2,1-3H3,(H,28,33);4-9,11-12,18H,10,13-14H2,1-3H3,(H2,26,28,33)/t;;2*22-;;;/m..10.../s1.
What are the key properties of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea?
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea has a molecular weight of 3663.27 g/mol, XLogP of 27.01, 58 rotatable bonds, 8 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]acetamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide;N-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;1-[6-[3-[2-(1,4-dimethylpyrrol-2-yl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(oxetan-3-yl)urea is sourced from PubChem (CID 157369808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).