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

C25H22FN7O2 — CID 25271439

IUPAC1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1cc(C(=O)c2cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncn2)c2cc(F)ccc21
InChIInChI=1S/C25H22FN7O2/c1-31-13-18(17-11-15(26)4-5-20(17)31)23(34)19-12-22(29-14-28-19)32-9-6-16(7-10-32)33-21-3-2-8-27-24(21)30-25(33)35/h2-5,8,11-14,16H,6-7,9-10H2,1H3,(H,27,30,35)
InChIKeyNCOMYDRCJHGBTJ-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.22
Rot. Bonds4

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

1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25271439) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is 1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID25271439
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC Name1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1cc(C(=O)c2cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncn2)c2cc(F)ccc21
InChIInChI=1S/C25H22FN7O2/c1-31-13-18(17-11-15(26)4-5-20(17)31)23(34)19-12-22(29-14-28-19)32-9-6-16(7-10-32)33-21-3-2-8-27-24(21)30-25(33)35/h2-5,8,11-14,16H,6-7,9-10H2,1H3,(H,27,30,35)
InChIKeyNCOMYDRCJHGBTJ-UHFFFAOYSA-N
XLogP3.22
TPSA101.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 25271439) is 1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is Cn1cc(C(=O)c2cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncn2)c2cc(F)ccc21.
What is the InChIKey of 1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is NCOMYDRCJHGBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c1-31-13-18(17-11-15(26)4-5-20(17)31)23(34)19-12-22(29-14-28-19)32-9-6-16(7-10-32)33-21-3-2-8-27-24(21)30-25(33)35/h2-5,8,11-14,16H,6-7,9-10H2,1H3,(H,27,30,35).
What are the key properties of 1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 471.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25271439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).