6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C16H18N6O2 — CID 154807208

IUPAC6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCn1cc(C2CCCCN2C(=O)c2cnc3[nH]c(=O)[nH]c3c2)cn1
InChIInChI=1S/C16H18N6O2/c1-21-9-11(8-18-21)13-4-2-3-5-22(13)15(23)10-6-12-14(17-7-10)20-16(24)19-12/h6-9,13H,2-5H2,1H3,(H2,17,19,20,24)
InChIKeyFOHRWYJDRBUSAR-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.35
Rot. Bonds2

About 6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 154807208) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID154807208
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCn1cc(C2CCCCN2C(=O)c2cnc3[nH]c(=O)[nH]c3c2)cn1
InChIInChI=1S/C16H18N6O2/c1-21-9-11(8-18-21)13-4-2-3-5-22(13)15(23)10-6-12-14(17-7-10)20-16(24)19-12/h6-9,13H,2-5H2,1H3,(H2,17,19,20,24)
InChIKeyFOHRWYJDRBUSAR-UHFFFAOYSA-N
XLogP1.35
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95342397
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 146103274
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993
2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 95569382
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95569597
(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 167972128
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119877995

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 154807208) is 6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is Cn1cc(C2CCCCN2C(=O)c2cnc3[nH]c(=O)[nH]c3c2)cn1.
What is the InChIKey of 6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is FOHRWYJDRBUSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-21-9-11(8-18-21)13-4-2-3-5-22(13)15(23)10-6-12-14(17-7-10)20-16(24)19-12/h6-9,13H,2-5H2,1H3,(H2,17,19,20,24).
What are the key properties of 6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 326.36 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 154807208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).