6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one

C32H37FN8O — CID 146640040

IUPAC6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)n1cnc2cc(-c3cnc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C32H37FN8O/c1-19(2)40-18-36-26-15-25(38-30(28(26)40)37-24-8-9-34-17-23(24)33)20-12-27-29(35-16-20)32(3,4)31(42)41(27)22-13-21(14-22)39-10-6-5-7-11-39/h8-9,12,15-19,21-22H,5-7,10-11,13-14H2,1-4H3,(H,34,37,38)
InChIKeyLAULAMNJFFTUNW-UHFFFAOYSA-N
MW568.70 g/mol
LogP5.99
Rot. Bonds6

About 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one

6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one (PubChem CID 146640040) has the molecular formula C32H37FN8O and a molecular weight of 568.70 g/mol. Its IUPAC name is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one
PubChem CID146640040
Molecular FormulaC32H37FN8O
Molecular Weight568.70 g/mol
Exact Mass568.31
IUPAC Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)n1cnc2cc(-c3cnc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C32H37FN8O/c1-19(2)40-18-36-26-15-25(38-30(28(26)40)37-24-8-9-34-17-23(24)33)20-12-27-29(35-16-20)32(3,4)31(42)41(27)22-13-21(14-22)39-10-6-5-7-11-39/h8-9,12,15-19,21-22H,5-7,10-11,13-14H2,1-4H3,(H,34,37,38)
InChIKeyLAULAMNJFFTUNW-UHFFFAOYSA-N
XLogP5.99
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.70
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one (CID 146640040) is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one is CC(C)n1cnc2cc(-c3cnc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.
What is the InChIKey of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is LAULAMNJFFTUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN8O/c1-19(2)40-18-36-26-15-25(38-30(28(26)40)37-24-8-9-34-17-23(24)33)20-12-27-29(35-16-20)32(3,4)31(42)41(27)22-13-21(14-22)39-10-6-5-7-11-39/h8-9,12,15-19,21-22H,5-7,10-11,13-14H2,1-4H3,(H,34,37,38).
What are the key properties of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one?
6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 568.70 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 146640040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).