1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one

C17H20N6O2 — CID 95349437

IUPAC1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C17H20N6O2/c1-11-9-13(14-15(19-11)21(2)20-16(14)24)17(25)23-8-3-5-12(23)10-22-7-4-6-18-22/h4,6-7,9,12H,3,5,8,10H2,1-2H3,(H,20,24)/t12-/m0/s1
InChIKeyPELVZGRTKYJLKL-LBPRGKRZSA-N
MW340.39 g/mol
LogP1.07
Rot. Bonds3

About 1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one

1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 95349437) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID95349437
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C17H20N6O2/c1-11-9-13(14-15(19-11)21(2)20-16(14)24)17(25)23-8-3-5-12(23)10-22-7-4-6-18-22/h4,6-7,9,12H,3,5,8,10H2,1-2H3,(H,20,24)/t12-/m0/s1
InChIKeyPELVZGRTKYJLKL-LBPRGKRZSA-N
XLogP1.07
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95342323
1,6-dimethyl-3-[(2S)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95347276
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344675
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344674
(2-methyl-5-methylsulfonylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95325315
(4-methylpyrimidin-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603803
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949655
3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95603596
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
(2,5-dichlorothiophen-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603586
(4-bromo-1H-pyrrol-2-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 56778866
(2-methylfuran-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95345998

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one (CID 95349437) is 1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of 1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is PELVZGRTKYJLKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-9-13(14-15(19-11)21(2)20-16(14)24)17(25)23-8-3-5-12(23)10-22-7-4-6-18-22/h4,6-7,9,12H,3,5,8,10H2,1-2H3,(H,20,24)/t12-/m0/s1.
What are the key properties of 1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one?
1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 340.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 95349437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).