(3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one

C32H36FN7O2 — CID 146639935

IUPAC(3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)[C@@]4(C)O)nc(Nc3ccncc3F)c21
InChIInChI=1S/C32H36FN7O2/c1-19(2)39-18-35-27-16-26(37-30(29(27)39)36-25-9-10-34-17-24(25)33)20-7-8-23-28(13-20)40(31(41)32(23,3)42)22-14-21(15-22)38-11-5-4-6-12-38/h7-10,13,16-19,21-22,42H,4-6,11-12,14-15H2,1-3H3,(H,34,36,37)/t21?,22?,32-/m0/s1
InChIKeyGRCOPJVBDTXXJG-WQMAOOLXSA-N
MW569.69 g/mol
LogP5.53
Rot. Bonds6

About (3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one

(3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one (PubChem CID 146639935) has the molecular formula C32H36FN7O2 and a molecular weight of 569.69 g/mol. Its IUPAC name is (3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one.

Molecular Properties

Compound Name(3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
PubChem CID146639935
Molecular FormulaC32H36FN7O2
Molecular Weight569.69 g/mol
Exact Mass569.29
IUPAC Name(3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)[C@@]4(C)O)nc(Nc3ccncc3F)c21
InChIInChI=1S/C32H36FN7O2/c1-19(2)39-18-35-27-16-26(37-30(29(27)39)36-25-9-10-34-17-24(25)33)20-7-8-23-28(13-20)40(31(41)32(23,3)42)22-14-21(15-22)38-11-5-4-6-12-38/h7-10,13,16-19,21-22,42H,4-6,11-12,14-15H2,1-3H3,(H,34,36,37)/t21?,22?,32-/m0/s1
InChIKeyGRCOPJVBDTXXJG-WQMAOOLXSA-N
XLogP5.53
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.69
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
The IUPAC name of (3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one (CID 146639935) is (3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one.
What is the SMILES notation for (3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
The canonical SMILES for (3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)[C@@]4(C)O)nc(Nc3ccncc3F)c21.
What is the InChIKey of (3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
The InChIKey is GRCOPJVBDTXXJG-WQMAOOLXSA-N. The full InChI is InChI=1S/C32H36FN7O2/c1-19(2)39-18-35-27-16-26(37-30(29(27)39)36-25-9-10-34-17-24(25)33)20-7-8-23-28(13-20)40(31(41)32(23,3)42)22-14-21(15-22)38-11-5-4-6-12-38/h7-10,13,16-19,21-22,42H,4-6,11-12,14-15H2,1-3H3,(H,34,36,37)/t21?,22?,32-/m0/s1.
What are the key properties of (3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
(3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one has a molecular weight of 569.69 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one is sourced from PubChem (CID 146639935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).