1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C25H25F2N7O2 — CID 143808051

IUPAC1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC1CN(C(=O)c2cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncn2)C2=C1C=C(F)C(F)C2
InChIInChI=1S/C25H25F2N7O2/c1-14-12-33(21-10-18(27)17(26)9-16(14)21)24(35)19-11-22(30-13-29-19)32-7-4-15(5-8-32)34-20-3-2-6-28-23(20)31-25(34)36/h2-3,6,9,11,13-15,18H,4-5,7-8,10,12H2,1H3,(H,28,31,36)
InChIKeyBSIGQOMRISSJOL-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.30
Rot. Bonds3

About 1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 143808051) has the molecular formula C25H25F2N7O2 and a molecular weight of 493.52 g/mol. Its IUPAC name is 1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID143808051
Molecular FormulaC25H25F2N7O2
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC Name1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC1CN(C(=O)c2cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncn2)C2=C1C=C(F)C(F)C2
InChIInChI=1S/C25H25F2N7O2/c1-14-12-33(21-10-18(27)17(26)9-16(14)21)24(35)19-11-22(30-13-29-19)32-7-4-15(5-8-32)34-20-3-2-6-28-23(20)31-25(34)36/h2-3,6,9,11,13-15,18H,4-5,7-8,10,12H2,1H3,(H,28,31,36)
InChIKeyBSIGQOMRISSJOL-UHFFFAOYSA-N
XLogP3.30
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 89009696
CID 89009696
1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386431
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
1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386505
1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25266218
1-[1-[6-[5-[(1Z)-buta-1,3-dienyl]-1-methylpyrazole-4-carbonyl]pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 143791445
2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 58386658
methyl [1-methyl-3-[6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidine-4-carbonyl]indol-5-yl] carbonate
CID 68869620
[2-[ethyl(methyl)amino]-3-methyl-5-[6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidine-4-carbonyl]phenyl] formate
CID 143791216
1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386482
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186
1-[1-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 71097445

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 143808051) is 1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is CC1CN(C(=O)c2cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncn2)C2=C1C=C(F)C(F)C2.
What is the InChIKey of 1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is BSIGQOMRISSJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2/c1-14-12-33(21-10-18(27)17(26)9-16(14)21)24(35)19-11-22(30-13-29-19)32-7-4-15(5-8-32)34-20-3-2-6-28-23(20)31-25(34)36/h2-3,6,9,11,13-15,18H,4-5,7-8,10,12H2,1H3,(H,28,31,36).
What are the key properties of 1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 493.52 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 143808051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).