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

C26H25FN6O3 — CID 42613381

IUPAC1-[1-[4-(5-fluoro-2,3-dihydroindole-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)N2CCc3cc(F)ccc32)cc1=O
InChIInChI=1S/C26H25FN6O3/c1-30-22(31-10-7-19(8-11-31)33-21-3-2-9-28-24(21)29-26(33)36)14-17(15-23(30)34)25(35)32-12-6-16-13-18(27)4-5-20(16)32/h2-5,9,13-15,19H,6-8,10-12H2,1H3,(H,28,29,36)
InChIKeyWPPCROBCNDFHIR-UHFFFAOYSA-N
MW488.52 g/mol
LogP2.61
Rot. Bonds3

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

1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 42613381) has the molecular formula C26H25FN6O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is 1-[1-[4-(5-fluoro-2,3-dihydroindole-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-2,3-dihydroindole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID42613381
Molecular FormulaC26H25FN6O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC Name1-[1-[4-(5-fluoro-2,3-dihydroindole-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)N2CCc3cc(F)ccc32)cc1=O
InChIInChI=1S/C26H25FN6O3/c1-30-22(31-10-7-19(8-11-31)33-21-3-2-9-28-24(21)29-26(33)36)14-17(15-23(30)34)25(35)32-12-6-16-13-18(27)4-5-20(16)32/h2-5,9,13-15,19H,6-8,10-12H2,1H3,(H,28,29,36)
InChIKeyWPPCROBCNDFHIR-UHFFFAOYSA-N
XLogP2.61
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[4-(5-fluoro-2,3-dihydroindole-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-2,3-dihydroindole-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-2,3-dihydroindole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 42613381) is 1-[1-[4-(5-fluoro-2,3-dihydroindole-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-2,3-dihydroindole-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-2,3-dihydroindole-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)N2CCc3cc(F)ccc32)cc1=O.
What is the InChIKey of 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is WPPCROBCNDFHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-30-22(31-10-7-19(8-11-31)33-21-3-2-9-28-24(21)29-26(33)36)14-17(15-23(30)34)25(35)32-12-6-16-13-18(27)4-5-20(16)32/h2-5,9,13-15,19H,6-8,10-12H2,1H3,(H,28,29,36).
What are the key properties of 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 488.52 g/mol, XLogP of 2.61, 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-2,3-dihydroindole-1-carbonyl)-1-methyl-6-oxo-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 42613381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).