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

C32H36N6O5 — CID 149406865

IUPACN-[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
SMILESCc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CCC(=O)N5CCC6(CC5)COC6)cn4n3)ccc2C)n(C)c1
InChIInChI=1S/C32H36N6O5/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/h4-6,8,14-15,17-18H,7,9-13,16,19-20H2,1-3H3,(H,34,40)
InChIKeyYQLRCBDSTJDPEO-UHFFFAOYSA-N
MW584.68 g/mol
LogP4.26
Rot. Bonds9

About 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]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide (PubChem CID 149406865) has the molecular formula C32H36N6O5 and a molecular weight of 584.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID149406865
Molecular FormulaC32H36N6O5
Molecular Weight584.68 g/mol
Exact Mass584.27
IUPAC NameN-[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
SMILESCc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CCC(=O)N5CCC6(CC5)COC6)cn4n3)ccc2C)n(C)c1
InChIInChI=1S/C32H36N6O5/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/h4-6,8,14-15,17-18H,7,9-13,16,19-20H2,1-3H3,(H,34,40)
InChIKeyYQLRCBDSTJDPEO-UHFFFAOYSA-N
XLogP4.26
TPSA120.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.68
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 159570415
tert-butyl N-[6-[3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate
CID 157094634
ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one
CID 161209117
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 70875087
N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide
CID 73335867
(E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide
CID 143840352
4-[6-methoxy-4-[(2-methyl-1H-inden-5-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 157082429
N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 57386062
N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
CID 59175242
N-[3-[2-[[2-(dimethylamino)acetyl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 24767995
N-cyclopropyloxy-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-2-amine
CID 143620600
9-[2-(2,5-dimethylphenyl)acetyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72882721

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 149406865) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CCC(=O)N5CCC6(CC5)COC6)cn4n3)ccc2C)n(C)c1.
What is the InChIKey of 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?
The InChIKey is YQLRCBDSTJDPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O5/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/h4-6,8,14-15,17-18H,7,9-13,16,19-20H2,1-3H3,(H,34,40).
What are the key properties of 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]-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutanamide has a molecular weight of 584.68 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 149406865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).