6-[4-[(2,3-difluoro-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

C32H36F2N8O — CID 146640005

IUPAC6-[4-[(2,3-difluoro-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(Nc3ccnc(F)c3F)c21
InChIInChI=1S/C32H36F2N8O/c1-18(2)41-17-37-24-15-23(39-30(27(24)41)38-22-8-9-35-29(34)26(22)33)19-12-25-28(36-16-19)32(3,4)31(43)42(25)21-13-20(14-21)40-10-6-5-7-11-40/h8-9,12,15-18,20-21H,5-7,10-11,13-14H2,1-4H3,(H,35,38,39)
InChIKeyWNEDALJMSHHLOW-UHFFFAOYSA-N
MW586.69 g/mol
LogP6.13
Rot. Bonds6

About 6-[4-[(2,3-difluoro-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-[(2,3-difluoro-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 146640005) has the molecular formula C32H36F2N8O and a molecular weight of 586.69 g/mol. Its IUPAC name is 6-[4-[(2,3-difluoro-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-[(2,3-difluoro-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 CID146640005
Molecular FormulaC32H36F2N8O
Molecular Weight586.69 g/mol
Exact Mass586.30
IUPAC Name6-[4-[(2,3-difluoro-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(Nc3ccnc(F)c3F)c21
InChIInChI=1S/C32H36F2N8O/c1-18(2)41-17-37-24-15-23(39-30(27(24)41)38-22-8-9-35-29(34)26(22)33)19-12-25-28(36-16-19)32(3,4)31(43)42(25)21-13-20(14-21)40-10-6-5-7-11-40/h8-9,12,15-18,20-21H,5-7,10-11,13-14H2,1-4H3,(H,35,38,39)
InChIKeyWNEDALJMSHHLOW-UHFFFAOYSA-N
XLogP6.13
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[4-[(2,3-difluoro-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-[(2,3-difluoro-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-[(2,3-difluoro-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 146640005) is 6-[4-[(2,3-difluoro-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-[(2,3-difluoro-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-[(2,3-difluoro-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(Nc3ccnc(F)c3F)c21.
What is the InChIKey of 6-[4-[(2,3-difluoro-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 WNEDALJMSHHLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F2N8O/c1-18(2)41-17-37-24-15-23(39-30(27(24)41)38-22-8-9-35-29(34)26(22)33)19-12-25-28(36-16-19)32(3,4)31(43)42(25)21-13-20(14-21)40-10-6-5-7-11-40/h8-9,12,15-18,20-21H,5-7,10-11,13-14H2,1-4H3,(H,35,38,39).
What are the key properties of 6-[4-[(2,3-difluoro-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-[(2,3-difluoro-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 586.69 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,3-difluoro-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 146640005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).