1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

C38H38FN9O3 — CID 177172031

IUPAC1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4cn5ccnc5cc4C)CC3)cc12
InChIInChI=1S/C38H38FN9O3/c1-25-20-34-40-10-14-46(34)24-32(25)44-16-18-45(19-17-44)38(50)31-22-30-29(27-7-3-4-8-33(27)51-2)21-28(36(39)37(30)42-31)26-6-5-12-47(23-26)35(49)9-13-48-15-11-41-43-48/h3-4,6-8,10-11,14-15,20-22,24,42H,5,9,12-13,16-19,23H2,1-2H3
InChIKeyYFQLLUMMDDUYGK-UHFFFAOYSA-N
MW687.78 g/mol
LogP5.20
Rot. Bonds8

About 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (PubChem CID 177172031) has the molecular formula C38H38FN9O3 and a molecular weight of 687.78 g/mol. Its IUPAC name is 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
PubChem CID177172031
Molecular FormulaC38H38FN9O3
Molecular Weight687.78 g/mol
Exact Mass687.31
IUPAC Name1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4cn5ccnc5cc4C)CC3)cc12
InChIInChI=1S/C38H38FN9O3/c1-25-20-34-40-10-14-46(34)24-32(25)44-16-18-45(19-17-44)38(50)31-22-30-29(27-7-3-4-8-33(27)51-2)21-28(36(39)37(30)42-31)26-6-5-12-47(23-26)35(49)9-13-48-15-11-41-43-48/h3-4,6-8,10-11,14-15,20-22,24,42H,5,9,12-13,16-19,23H2,1-2H3
InChIKeyYFQLLUMMDDUYGK-UHFFFAOYSA-N
XLogP5.20
TPSA116.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.78
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one with MolForge

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Related Compounds

N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 118538902
N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 122178613
(6S)-6-benzyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600814
[4-[3-(ethylamino)-2-pyridyl]piperazin-1-yl]-(5-methoxy-4,6,7-trimethyl-1H-indol-2-yl)methanone
CID 455380
N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[2-methyl-3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452739
US9796708, Example 799
CID 90420993
US20240025884, Example 481
CID 170672844
US20240025884, Example 403
CID 170673135
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 145970241
1-(2-fluoro-4-methoxyphenyl)-2-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190501
US20240025884, Example 406
CID 170672829
US20240025884, Example 435
CID 170672923

Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (CID 177172031) is 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is COc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4cn5ccnc5cc4C)CC3)cc12.
What is the InChIKey of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The InChIKey is YFQLLUMMDDUYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38FN9O3/c1-25-20-34-40-10-14-46(34)24-32(25)44-16-18-45(19-17-44)38(50)31-22-30-29(27-7-3-4-8-33(27)51-2)21-28(36(39)37(30)42-31)26-6-5-12-47(23-26)35(49)9-13-48-15-11-41-43-48/h3-4,6-8,10-11,14-15,20-22,24,42H,5,9,12-13,16-19,23H2,1-2H3.
What are the key properties of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one has a molecular weight of 687.78 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 177172031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).