6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide

C96H93FN34O4 — CID 158779966

IUPAC6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)Cc3ccn(C)n3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCn4cncc4C3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cccc(F)c3)[nH]c12
InChIInChI=1S/C25H22FN7O.C24H23N9O.C24H25N9O.C23H23N9O/c1-15-8-19(30-25-27-7-6-20(32-25)22-13-33(2)14-29-22)10-17-11-21(31-23(15)17)24(34)28-12-16-4-3-5-18(26)9-16;1-15-7-17(28-24-26-4-3-19(30-24)21-12-31(2)14-27-21)8-16-9-20(29-22(15)16)23(34)32-5-6-33-13-25-10-18(33)11-32;1-15-9-18(27-24-25-7-5-19(29-24)21-13-31(2)14-26-21)10-16-11-20(28-22(15)16)23(34)32(3)12-17-6-8-33(4)30-17;1-13-6-17(28-23-24-5-4-18(30-23)20-11-32(3)12-26-20)7-15-8-19(29-21(13)15)22(33)25-9-16-10-27-31-14(16)2/h3-11,13-14,31H,12H2,1-2H3,(H,28,34)(H,27,30,32);3-4,7-10,12-14,29H,5-6,11H2,1-2H3,(H,26,28,30);5-11,13-14,28H,12H2,1-4H3,(H,25,27,29);4-8,10-12,29H,9H2,1-3H3,(H,25,33)(H,27,31)(H,24,28,30)
InChIKeyIQYHHKNUBLSMST-UHFFFAOYSA-N
MW1806.03 g/mol
LogP14.53
Rot. Bonds22

About 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide

6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 158779966) has the molecular formula C96H93FN34O4 and a molecular weight of 1806.03 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide
PubChem CID158779966
Molecular FormulaC96H93FN34O4
Molecular Weight1806.03 g/mol
Exact Mass1804.81
IUPAC Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)Cc3ccn(C)n3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCn4cncc4C3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cccc(F)c3)[nH]c12
InChIInChI=1S/C25H22FN7O.C24H23N9O.C24H25N9O.C23H23N9O/c1-15-8-19(30-25-27-7-6-20(32-25)22-13-33(2)14-29-22)10-17-11-21(31-23(15)17)24(34)28-12-16-4-3-5-18(26)9-16;1-15-7-17(28-24-26-4-3-19(30-24)21-12-31(2)14-27-21)8-16-9-20(29-22(15)16)23(34)32-5-6-33-13-25-10-18(33)11-32;1-15-9-18(27-24-25-7-5-19(29-24)21-13-31(2)14-26-21)10-16-11-20(28-22(15)16)23(34)32(3)12-17-6-8-33(4)30-17;1-13-6-17(28-23-24-5-4-18(30-23)20-11-32(3)12-26-20)7-15-8-19(29-21(13)15)22(33)25-9-16-10-27-31-14(16)2/h3-11,13-14,31H,12H2,1-2H3,(H,28,34)(H,27,30,32);3-4,7-10,12-14,29H,5-6,11H2,1-2H3,(H,26,28,30);5-11,13-14,28H,12H2,1-4H3,(H,25,27,29);4-8,10-12,29H,9H2,1-3H3,(H,25,33)(H,27,31)(H,24,28,30)
InChIKeyIQYHHKNUBLSMST-UHFFFAOYSA-N
XLogP14.53
TPSA448.82 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001806.03
LogP ≤ 514.53
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide (CID 158779966) is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide is Cc1[nH]ncc1CNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)Cc3ccn(C)n3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCn4cncc4C3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cccc(F)c3)[nH]c12.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is IQYHHKNUBLSMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O.C24H23N9O.C24H25N9O.C23H23N9O/c1-15-8-19(30-25-27-7-6-20(32-25)22-13-33(2)14-29-22)10-17-11-21(31-23(15)17)24(34)28-12-16-4-3-5-18(26)9-16;1-15-7-17(28-24-26-4-3-19(30-24)21-12-31(2)14-27-21)8-16-9-20(29-22(15)16)23(34)32-5-6-33-13-25-10-18(33)11-32;1-15-9-18(27-24-25-7-5-19(29-24)21-13-31(2)14-26-21)10-16-11-20(28-22(15)16)23(34)32(3)12-17-6-8-33(4)30-17;1-13-6-17(28-23-24-5-4-18(30-23)20-11-32(3)12-26-20)7-15-8-19(29-21(13)15)22(33)25-9-16-10-27-31-14(16)2/h3-11,13-14,31H,12H2,1-2H3,(H,28,34)(H,27,30,32);3-4,7-10,12-14,29H,5-6,11H2,1-2H3,(H,26,28,30);5-11,13-14,28H,12H2,1-4H3,(H,25,27,29);4-8,10-12,29H,9H2,1-3H3,(H,25,33)(H,27,31)(H,24,28,30).
What are the key properties of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide?
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 1806.03 g/mol, XLogP of 14.53, 22 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(3-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158779966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).