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

C25H23FN6O2 — CID 42613141

IUPAC1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(c1ccnc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1)N1CCc2cc(F)ccc21
InChIInChI=1S/C25H23FN6O2/c26-18-3-4-20-16(14-18)6-13-31(20)24(33)17-5-10-27-22(15-17)30-11-7-19(8-12-30)32-21-2-1-9-28-23(21)29-25(32)34/h1-5,9-10,14-15,19H,6-8,11-13H2,(H,28,29,34)
InChIKeyMZHUHNKNKFKLLD-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.30
Rot. Bonds3

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

1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 42613141) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-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)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID42613141
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(c1ccnc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1)N1CCc2cc(F)ccc21
InChIInChI=1S/C25H23FN6O2/c26-18-3-4-20-16(14-18)6-13-31(20)24(33)17-5-10-27-22(15-17)30-11-7-19(8-12-30)32-21-2-1-9-28-23(21)29-25(32)34/h1-5,9-10,14-15,19H,6-8,11-13H2,(H,28,29,34)
InChIKeyMZHUHNKNKFKLLD-UHFFFAOYSA-N
XLogP3.30
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-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)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 42613141) is 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-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)-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)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=C(c1ccnc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1)N1CCc2cc(F)ccc21.
What is the InChIKey of 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is MZHUHNKNKFKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c26-18-3-4-20-16(14-18)6-13-31(20)24(33)17-5-10-27-22(15-17)30-11-7-19(8-12-30)32-21-2-1-9-28-23(21)29-25(32)34/h1-5,9-10,14-15,19H,6-8,11-13H2,(H,28,29,34).
What are the key properties of 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 458.50 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 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)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 42613141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).