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

C37H36FN9O4 — CID 177171747

IUPAC4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4ccnc5c4CC(=O)N5)CC3)cc12
InChIInChI=1S/C37H36FN9O4/c1-51-31-7-3-2-6-24(31)26-19-25(23-5-4-12-46(22-23)33(49)9-13-47-14-11-40-43-47)34(38)35-27(26)20-29(41-35)37(50)45-17-15-44(16-18-45)30-8-10-39-36-28(30)21-32(48)42-36/h2-3,5-8,10-11,14,19-20,41H,4,9,12-13,15-18,21-22H2,1H3,(H,39,42,48)
InChIKeyNCXNCHRUQCZOIJ-UHFFFAOYSA-N
MW689.75 g/mol
LogP4.13
Rot. Bonds8

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

4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 177171747) has the molecular formula C37H36FN9O4 and a molecular weight of 689.75 g/mol. Its IUPAC name is 4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID177171747
Molecular FormulaC37H36FN9O4
Molecular Weight689.75 g/mol
Exact Mass689.29
IUPAC Name4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4ccnc5c4CC(=O)N5)CC3)cc12
InChIInChI=1S/C37H36FN9O4/c1-51-31-7-3-2-6-24(31)26-19-25(23-5-4-12-46(22-23)33(49)9-13-47-14-11-40-43-47)34(38)35-27(26)20-29(41-35)37(50)45-17-15-44(16-18-45)30-8-10-39-36-28(30)21-32(48)42-36/h2-3,5-8,10-11,14,19-20,41H,4,9,12-13,15-18,21-22H2,1H3,(H,39,42,48)
InChIKeyNCXNCHRUQCZOIJ-UHFFFAOYSA-N
XLogP4.13
TPSA141.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500689.75
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 177171747) is 4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is COc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4ccnc5c4CC(=O)N5)CC3)cc12.
What is the InChIKey of 4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is NCXNCHRUQCZOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36FN9O4/c1-51-31-7-3-2-6-24(31)26-19-25(23-5-4-12-46(22-23)33(49)9-13-47-14-11-40-43-47)34(38)35-27(26)20-29(41-35)37(50)45-17-15-44(16-18-45)30-8-10-39-36-28(30)21-32(48)42-36/h2-3,5-8,10-11,14,19-20,41H,4,9,12-13,15-18,21-22H2,1H3,(H,39,42,48).
What are the key properties of 4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 689.75 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 177171747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).