3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one

C16H22N6O — CID 134793440

IUPAC3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(Cc3ccnn3C)CC1)C2
InChIInChI=1S/C16H22N6O/c1-12-17-9-15-11-21(16(23)22(12)15)13-4-7-20(8-5-13)10-14-3-6-18-19(14)2/h3,6,9,13H,4-5,7-8,10-11H2,1-2H3
InChIKeyVCNQVCQNLYPMRF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.37
Rot. Bonds3

About 3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one

3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 134793440) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID134793440
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(Cc3ccnn3C)CC1)C2
InChIInChI=1S/C16H22N6O/c1-12-17-9-15-11-21(16(23)22(12)15)13-4-7-20(8-5-13)10-14-3-6-18-19(14)2/h3,6,9,13H,4-5,7-8,10-11H2,1-2H3
InChIKeyVCNQVCQNLYPMRF-UHFFFAOYSA-N
XLogP1.37
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(1-Methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396972
[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone
CID 97471184
Dimethyl[(2-{1-[(1-propylpyrazol-4-YL)methyl]pyrrolidin-2-YL}pyrimidin-4-YL)methyl]amine
CID 110117217
1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129329128
1-[4-(2,5-dimethyl-1H-imidazol-1-yl)piperidino]-3-(1H-pyrazol-1-yl)-1-propanone
CID 124047374
2-ethyl-4-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56871387
1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
CID 124758605
4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide
CID 128997371
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 129003069
(3R)-N-(1,5-dimethylpyrazol-3-yl)-4-ethyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129337157
1-(3-Imidazol-1-ylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 53592981
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 95313726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one (CID 134793440) is 3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one is Cc1ncc2n1C(=O)N(C1CCN(Cc3ccnn3C)CC1)C2.
What is the InChIKey of 3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is VCNQVCQNLYPMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-17-9-15-11-21(16(23)22(12)15)13-4-7-20(8-5-13)10-14-3-6-18-19(14)2/h3,6,9,13H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one?
3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 314.39 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 134793440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).