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

C25H22F2N6O3 — CID 42613456

IUPAC1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)[nH]c(=O)c1)N1CCc2c1ccc(F)c2F
InChIInChI=1S/C25H22F2N6O3/c26-17-3-4-18-16(22(17)27)7-11-32(18)24(35)14-12-20(29-21(34)13-14)31-9-5-15(6-10-31)33-19-2-1-8-28-23(19)30-25(33)36/h1-4,8,12-13,15H,5-7,9-11H2,(H,29,34)(H,28,30,36)
InChIKeyXRJXIMBTVGJTKS-UHFFFAOYSA-N
MW492.49 g/mol
LogP2.74
Rot. Bonds3

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

1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 42613456) has the molecular formula C25H22F2N6O3 and a molecular weight of 492.49 g/mol. Its IUPAC name is 1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID42613456
Molecular FormulaC25H22F2N6O3
Molecular Weight492.49 g/mol
Exact Mass492.17
IUPAC Name1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)[nH]c(=O)c1)N1CCc2c1ccc(F)c2F
InChIInChI=1S/C25H22F2N6O3/c26-17-3-4-18-16(22(17)27)7-11-32(18)24(35)14-12-20(29-21(34)13-14)31-9-5-15(6-10-31)33-19-2-1-8-28-23(19)30-25(33)36/h1-4,8,12-13,15H,5-7,9-11H2,(H,29,34)(H,28,30,36)
InChIKeyXRJXIMBTVGJTKS-UHFFFAOYSA-N
XLogP2.74
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]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-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 42613456) is 1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=C(c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)[nH]c(=O)c1)N1CCc2c1ccc(F)c2F.
What is the InChIKey of 1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is XRJXIMBTVGJTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O3/c26-17-3-4-18-16(22(17)27)7-11-32(18)24(35)14-12-20(29-21(34)13-14)31-9-5-15(6-10-31)33-19-2-1-8-28-23(19)30-25(33)36/h1-4,8,12-13,15H,5-7,9-11H2,(H,29,34)(H,28,30,36).
What are the key properties of 1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 492.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4,5-difluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 42613456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).