1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one

C34H40FN7O — CID 146639925

IUPAC1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5C[C@@H](C)[C@@H](C)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C34H40FN7O/c1-19(2)41-18-37-29-14-28(39-32(31(29)41)38-27-9-10-36-15-26(27)35)22-7-8-25-30(11-22)42(33(43)34(25,5)6)24-12-23(13-24)40-16-20(3)21(4)17-40/h7-11,14-15,18-21,23-24H,12-13,16-17H2,1-6H3,(H,36,38,39)/t20-,21+,23?,24?
InChIKeyRZJULQXNEWYNTD-MNZGCLKASA-N
MW581.74 g/mol
LogP6.70
Rot. Bonds6

About 1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one

1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one (PubChem CID 146639925) has the molecular formula C34H40FN7O and a molecular weight of 581.74 g/mol. Its IUPAC name is 1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one
PubChem CID146639925
Molecular FormulaC34H40FN7O
Molecular Weight581.74 g/mol
Exact Mass581.33
IUPAC Name1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5C[C@@H](C)[C@@H](C)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C34H40FN7O/c1-19(2)41-18-37-29-14-28(39-32(31(29)41)38-27-9-10-36-15-26(27)35)22-7-8-25-30(11-22)42(33(43)34(25,5)6)24-12-23(13-24)40-16-20(3)21(4)17-40/h7-11,14-15,18-21,23-24H,12-13,16-17H2,1-6H3,(H,36,38,39)/t20-,21+,23?,24?
InChIKeyRZJULQXNEWYNTD-MNZGCLKASA-N
XLogP6.70
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 ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one?
The IUPAC name of 1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one (CID 146639925) is 1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one?
The canonical SMILES for 1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5C[C@@H](C)[C@@H](C)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.
What is the InChIKey of 1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one?
The InChIKey is RZJULQXNEWYNTD-MNZGCLKASA-N. The full InChI is InChI=1S/C34H40FN7O/c1-19(2)41-18-37-29-14-28(39-32(31(29)41)38-27-9-10-36-15-26(27)35)22-7-8-25-30(11-22)42(33(43)34(25,5)6)24-12-23(13-24)40-16-20(3)21(4)17-40/h7-11,14-15,18-21,23-24H,12-13,16-17H2,1-6H3,(H,36,38,39)/t20-,21+,23?,24?.
What are the key properties of 1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one?
1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one has a molecular weight of 581.74 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 146639925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).