[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

C21H22N6O — CID 70738252

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cc2nc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)cc(C)n2n1
InChIInChI=1S/C21H22N6O/c1-13-10-19-22-18(11-14(2)27(19)25-13)21(28)26-9-5-6-15(12-26)20-23-16-7-3-4-8-17(16)24-20/h3-4,7-8,10-11,15H,5-6,9,12H2,1-2H3,(H,23,24)
InChIKeyGMNLPPDQGRJXJI-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.24
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 70738252) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID70738252
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cc2nc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)cc(C)n2n1
InChIInChI=1S/C21H22N6O/c1-13-10-19-22-18(11-14(2)27(19)25-13)21(28)26-9-5-6-15(12-26)20-23-16-7-3-4-8-17(16)24-20/h3-4,7-8,10-11,15H,5-6,9,12H2,1-2H3,(H,23,24)
InChIKeyGMNLPPDQGRJXJI-UHFFFAOYSA-N
XLogP3.24
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone
CID 91946817
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
CID 91946694
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 70769742
1-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95860793
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (CID 70738252) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is Cc1cc2nc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)cc(C)n2n1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is GMNLPPDQGRJXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13-10-19-22-18(11-14(2)27(19)25-13)21(28)26-9-5-6-15(12-26)20-23-16-7-3-4-8-17(16)24-20/h3-4,7-8,10-11,15H,5-6,9,12H2,1-2H3,(H,23,24).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 374.45 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 70738252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).