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

C25H23FN6O3 — CID 42613380

IUPAC1-[1-[4-(5-fluoro-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)N1CCc2cc(F)ccc21
InChIInChI=1S/C25H23FN6O3/c26-17-3-4-19-15(12-17)5-11-31(19)24(34)16-13-21(28-22(33)14-16)30-9-6-18(7-10-30)32-20-2-1-8-27-23(20)29-25(32)35/h1-4,8,12-14,18H,5-7,9-11H2,(H,28,33)(H,27,29,35)
InChIKeyXIIZBNDKXKPPSZ-UHFFFAOYSA-N
MW474.50 g/mol
LogP2.60
Rot. Bonds3

About 1-[1-[4-(5-fluoro-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-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 42613380) has the molecular formula C25H23FN6O3 and a molecular weight of 474.50 g/mol. Its IUPAC name is 1-[1-[4-(5-fluoro-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-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID42613380
Molecular FormulaC25H23FN6O3
Molecular Weight474.50 g/mol
Exact Mass474.18
IUPAC Name1-[1-[4-(5-fluoro-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)N1CCc2cc(F)ccc21
InChIInChI=1S/C25H23FN6O3/c26-17-3-4-19-15(12-17)5-11-31(19)24(34)16-13-21(28-22(33)14-16)30-9-6-18(7-10-30)32-20-2-1-8-27-23(20)29-25(32)35/h1-4,8,12-14,18H,5-7,9-11H2,(H,28,33)(H,27,29,35)
InChIKeyXIIZBNDKXKPPSZ-UHFFFAOYSA-N
XLogP2.60
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[4-(5-fluoro-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-(5-fluoro-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-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 42613380) is 1-[1-[4-(5-fluoro-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-(5-fluoro-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-(5-fluoro-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)N1CCc2cc(F)ccc21.
What is the InChIKey of 1-[1-[4-(5-fluoro-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 XIIZBNDKXKPPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O3/c26-17-3-4-19-15(12-17)5-11-31(19)24(34)16-13-21(28-22(33)14-16)30-9-6-18(7-10-30)32-20-2-1-8-27-23(20)29-25(32)35/h1-4,8,12-14,18H,5-7,9-11H2,(H,28,33)(H,27,29,35).
What are the key properties of 1-[1-[4-(5-fluoro-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-(5-fluoro-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 474.50 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(5-fluoro-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 42613380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).