6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-[3-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one

C34H40FN7O — CID 146640070

IUPAC6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-[3-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC[C@@H](C)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C34H40FN7O/c1-20(2)41-19-37-29-16-28(39-32(31(29)41)38-27-10-11-36-17-26(27)35)22-8-9-25-30(13-22)42(33(43)34(25,4)5)24-14-23(15-24)40-12-6-7-21(3)18-40/h8-11,13,16-17,19-21,23-24H,6-7,12,14-15,18H2,1-5H3,(H,36,38,39)/t21-,23?,24?/m1/s1
InChIKeyZVOFLSGWDFTENR-DNFKCEGXSA-N
MW581.74 g/mol
LogP6.84
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-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one

6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-[3-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one (PubChem CID 146640070) has the molecular formula C34H40FN7O and a molecular weight of 581.74 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-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-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-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one
PubChem CID146640070
Molecular FormulaC34H40FN7O
Molecular Weight581.74 g/mol
Exact Mass581.33
IUPAC Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-[3-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC[C@@H](C)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C34H40FN7O/c1-20(2)41-19-37-29-16-28(39-32(31(29)41)38-27-10-11-36-17-26(27)35)22-8-9-25-30(13-22)42(33(43)34(25,4)5)24-14-23(15-24)40-12-6-7-21(3)18-40/h8-11,13,16-17,19-21,23-24H,6-7,12,14-15,18H2,1-5H3,(H,36,38,39)/t21-,23?,24?/m1/s1
InChIKeyZVOFLSGWDFTENR-DNFKCEGXSA-N
XLogP6.84
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.74
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-[3-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-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-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-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-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one (CID 146640070) is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-[3-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-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-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-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-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC[C@@H](C)C5)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-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one?
The InChIKey is ZVOFLSGWDFTENR-DNFKCEGXSA-N. The full InChI is InChI=1S/C34H40FN7O/c1-20(2)41-19-37-29-16-28(39-32(31(29)41)38-27-10-11-36-17-26(27)35)22-8-9-25-30(13-22)42(33(43)34(25,4)5)24-14-23(15-24)40-12-6-7-21(3)18-40/h8-11,13,16-17,19-21,23-24H,6-7,12,14-15,18H2,1-5H3,(H,36,38,39)/t21-,23?,24?/m1/s1.
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-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one?
6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-[3-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one has a molecular weight of 581.74 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one is sourced from PubChem (CID 146640070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).