[(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone

C19H22N6O — CID 95711494

IUPAC[(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCCc1nc(N2CCC[C@H](C(=O)c3ccccn3)C2)c2cnn(C)c2n1
InChIInChI=1S/C19H22N6O/c1-3-16-22-18-14(11-21-24(18)2)19(23-16)25-10-6-7-13(12-25)17(26)15-8-4-5-9-20-15/h4-5,8-9,11,13H,3,6-7,10,12H2,1-2H3/t13-/m0/s1
InChIKeySNKYUAJXYUCMMJ-ZDUSSCGKSA-N
MW350.43 g/mol
LogP2.42
Rot. Bonds4

About [(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone

[(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 95711494) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID95711494
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCCc1nc(N2CCC[C@H](C(=O)c3ccccn3)C2)c2cnn(C)c2n1
InChIInChI=1S/C19H22N6O/c1-3-16-22-18-14(11-21-24(18)2)19(23-16)25-10-6-7-13(12-25)17(26)15-8-4-5-9-20-15/h4-5,8-9,11,13H,3,6-7,10,12H2,1-2H3/t13-/m0/s1
InChIKeySNKYUAJXYUCMMJ-ZDUSSCGKSA-N
XLogP2.42
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

1-methyl-6-[[3-(pyridine-2-carbonyl)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663726
ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 56897120
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 97199860
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone
CID 97187183
ethyl 1-[1-(2-chlorophenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 42671372
2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134713696
(3-chlorophenyl)-[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 97196194
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
[(3S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 97194931
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 94521513
[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 72874366
(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95716543

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone (CID 95711494) is [(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone is CCc1nc(N2CCC[C@H](C(=O)c3ccccn3)C2)c2cnn(C)c2n1.
What is the InChIKey of [(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is SNKYUAJXYUCMMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-16-22-18-14(11-21-24(18)2)19(23-16)25-10-6-7-13(12-25)17(26)15-8-4-5-9-20-15/h4-5,8-9,11,13H,3,6-7,10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone?
[(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 350.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 95711494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).