[1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

C21H28N6O — CID 51854340

IUPAC[1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H](C)C2)c2c(C)nn(C)c2n1
InChIInChI=1S/C21H28N6O/c1-12-8-7-9-27(11-12)21(28)16-10-17(18-13(2)23-25(5)15(18)4)22-20-19(16)14(3)24-26(20)6/h10,12H,7-9,11H2,1-6H3/t12-/m0/s1
InChIKeyLMNYDAUXRIVDMQ-LBPRGKRZSA-N
MW380.50 g/mol
LogP3.17
Rot. Bonds2

About [1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

[1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 51854340) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is [1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID51854340
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name[1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H](C)C2)c2c(C)nn(C)c2n1
InChIInChI=1S/C21H28N6O/c1-12-8-7-9-27(11-12)21(28)16-10-17(18-13(2)23-25(5)15(18)4)22-20-19(16)14(3)24-26(20)6/h10,12H,7-9,11H2,1-6H3/t12-/m0/s1
InChIKeyLMNYDAUXRIVDMQ-LBPRGKRZSA-N
XLogP3.17
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854350
[6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854053
1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 7174544
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821447
azepan-1-yl-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44823238
(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 35522197
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396591
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119396590
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 111561787
piperidin-1-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16620882
1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 44822938

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 51854340) is [1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H](C)C2)c2c(C)nn(C)c2n1.
What is the InChIKey of [1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is LMNYDAUXRIVDMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H28N6O/c1-12-8-7-9-27(11-12)21(28)16-10-17(18-13(2)23-25(5)15(18)4)22-20-19(16)14(3)24-26(20)6/h10,12H,7-9,11H2,1-6H3/t12-/m0/s1.
What are the key properties of [1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
[1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 380.50 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 51854340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).