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

C25H28N8O2 — CID 71097445

IUPAC1-[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
SMILESCC1(C)CN(C(=O)c2ccnc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)c2)Cc2cn[nH]c21
InChIInChI=1S/C25H28N8O2/c1-25(2)15-32(14-17-13-28-30-21(17)25)23(34)16-5-9-26-20(12-16)31-10-6-18(7-11-31)33-19-4-3-8-27-22(19)29-24(33)35/h3-5,8-9,12-13,18H,6-7,10-11,14-15H2,1-2H3,(H,28,30)(H,27,29,35)
InChIKeyMMYOJSBPJSRKMF-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.62
Rot. Bonds3

About 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

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 (PubChem CID 71097445) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID71097445
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name1-[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
SMILESCC1(C)CN(C(=O)c2ccnc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)c2)Cc2cn[nH]c21
InChIInChI=1S/C25H28N8O2/c1-25(2)15-32(14-17-13-28-30-21(17)25)23(34)16-5-9-26-20(12-16)31-10-6-18(7-11-31)33-19-4-3-8-27-22(19)29-24(33)35/h3-5,8-9,12-13,18H,6-7,10-11,14-15H2,1-2H3,(H,28,30)(H,27,29,35)
InChIKeyMMYOJSBPJSRKMF-UHFFFAOYSA-N
XLogP2.62
TPSA115.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 58386658
1-[1-[4-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 42613534
1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one
CID 69188184
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-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386482
potassium 1-(1-oxidopiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 145302216
3-[1-[4-(8,8-dimethyl-5,7-dihydropyrido[4,3-d]pyrimidine-6-carbonyl)-2-pyridinyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one
CID 143674716
potassium;hydride;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 174628574
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
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
CID 89009696
CID 89009696
3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one
CID 67337803

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CN(C(=O)c2ccnc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)c2)Cc2cn[nH]c21.
What is the InChIKey of 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?
The InChIKey is MMYOJSBPJSRKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-25(2)15-32(14-17-13-28-30-21(17)25)23(34)16-5-9-26-20(12-16)31-10-6-18(7-11-31)33-19-4-3-8-27-22(19)29-24(33)35/h3-5,8-9,12-13,18H,6-7,10-11,14-15H2,1-2H3,(H,28,30)(H,27,29,35).
What are the key properties of 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?
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 has a molecular weight of 472.55 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71097445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).