1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C37H36FN9O4 — CID 177171808

IUPAC1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)cc12
InChIInChI=1S/C37H36FN9O4/c1-51-31-9-3-2-7-25(31)27-20-26(23-6-5-15-45(22-23)32(48)12-18-46-19-14-40-43-46)33(38)34-28(27)21-29(41-34)36(49)44-16-10-24(11-17-44)47-30-8-4-13-39-35(30)42-37(47)50/h2-4,6-9,13-14,19-21,24,41H,5,10-12,15-18,22H2,1H3,(H,39,42,50)
InChIKeyPGDGJYFVRYCVQM-UHFFFAOYSA-N
MW689.75 g/mol
LogP4.80
Rot. Bonds8

About 1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 177171808) has the molecular formula C37H36FN9O4 and a molecular weight of 689.75 g/mol. Its IUPAC name is 1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID177171808
Molecular FormulaC37H36FN9O4
Molecular Weight689.75 g/mol
Exact Mass689.29
IUPAC Name1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)cc12
InChIInChI=1S/C37H36FN9O4/c1-51-31-9-3-2-7-25(31)27-20-26(23-6-5-15-45(22-23)32(48)12-18-46-19-14-40-43-46)33(38)34-28(27)21-29(41-34)36(49)44-16-10-24(11-17-44)47-30-8-4-13-39-35(30)42-37(47)50/h2-4,6-9,13-14,19-21,24,41H,5,10-12,15-18,22H2,1H3,(H,39,42,50)
InChIKeyPGDGJYFVRYCVQM-UHFFFAOYSA-N
XLogP4.80
TPSA147.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500689.75
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 177171808) is 1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is COc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)cc12.
What is the InChIKey of 1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is PGDGJYFVRYCVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36FN9O4/c1-51-31-9-3-2-7-25(31)27-20-26(23-6-5-15-45(22-23)32(48)12-18-46-19-14-40-43-46)33(38)34-28(27)21-29(41-34)36(49)44-16-10-24(11-17-44)47-30-8-4-13-39-35(30)42-37(47)50/h2-4,6-9,13-14,19-21,24,41H,5,10-12,15-18,22H2,1H3,(H,39,42,50).
What are the key properties of 1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 689.75 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 177171808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).