1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C28H29FN6O3 — CID 42613383

IUPAC1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)cc(C(=O)N2CC(C)(C)c3cc(F)ccc32)cc1=O
InChIInChI=1S/C28H29FN6O3/c1-28(2)16-34(21-7-6-18(29)15-20(21)28)26(37)17-13-23(32(3)24(36)14-17)33-11-8-19(9-12-33)35-22-5-4-10-30-25(22)31-27(35)38/h4-7,10,13-15,19H,8-9,11-12,16H2,1-3H3,(H,30,31,38)
InChIKeyZWHGCGSYHNFVKR-UHFFFAOYSA-N
MW516.58 g/mol
LogP3.34
Rot. Bonds3

About 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 42613383) has the molecular formula C28H29FN6O3 and a molecular weight of 516.58 g/mol. Its IUPAC name is 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID42613383
Molecular FormulaC28H29FN6O3
Molecular Weight516.58 g/mol
Exact Mass516.23
IUPAC Name1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)cc(C(=O)N2CC(C)(C)c3cc(F)ccc32)cc1=O
InChIInChI=1S/C28H29FN6O3/c1-28(2)16-34(21-7-6-18(29)15-20(21)28)26(37)17-13-23(32(3)24(36)14-17)33-11-8-19(9-12-33)35-22-5-4-10-30-25(22)31-27(35)38/h4-7,10,13-15,19H,8-9,11-12,16H2,1-3H3,(H,30,31,38)
InChIKeyZWHGCGSYHNFVKR-UHFFFAOYSA-N
XLogP3.34
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.58
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 42613383) is 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is Cn1c(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)cc(C(=O)N2CC(C)(C)c3cc(F)ccc32)cc1=O.
What is the InChIKey of 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is ZWHGCGSYHNFVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O3/c1-28(2)16-34(21-7-6-18(29)15-20(21)28)26(37)17-13-23(32(3)24(36)14-17)33-11-8-19(9-12-33)35-22-5-4-10-30-25(22)31-27(35)38/h4-7,10,13-15,19H,8-9,11-12,16H2,1-3H3,(H,30,31,38).
What are the key properties of 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 516.58 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 42613383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).