(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone

C17H17N5O — CID 130423668

IUPAC(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESCc1[nH]nc2ncc(C(=O)N3CCC[C@@H]3c3cccnc3)cc12
InChIInChI=1S/C17H17N5O/c1-11-14-8-13(10-19-16(14)21-20-11)17(23)22-7-3-5-15(22)12-4-2-6-18-9-12/h2,4,6,8-10,15H,3,5,7H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyVWXVECIQRBSWSK-OAHLLOKOSA-N
MW307.36 g/mol
LogP2.64
Rot. Bonds2

About (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone

(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 130423668) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
PubChem CID130423668
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESCc1[nH]nc2ncc(C(=O)N3CCC[C@@H]3c3cccnc3)cc12
InChIInChI=1S/C17H17N5O/c1-11-14-8-13(10-19-16(14)21-20-11)17(23)22-7-3-5-15(22)12-4-2-6-18-9-12/h2,4,6,8-10,15H,3,5,7H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyVWXVECIQRBSWSK-OAHLLOKOSA-N
XLogP2.64
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 130423720
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 130423555
[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 130423553
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 130423530
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118892627
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone
CID 118879521
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95342397
[(2S)-2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 130423677
[2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118879473
[2-(4-chlorophenyl)azepan-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 130423609
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118879489
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 39490617

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 130423668) is (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone is Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H]3c3cccnc3)cc12.
What is the InChIKey of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is VWXVECIQRBSWSK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-14-8-13(10-19-16(14)21-20-11)17(23)22-7-3-5-15(22)12-4-2-6-18-9-12/h2,4,6,8-10,15H,3,5,7H2,1H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 130423668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).