1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C20H22N4O2 — CID 99818647

IUPAC1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCN(C[C@@H]1CCOC1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C20H22N4O2/c1-23(12-16-7-8-26-14-16)20(25)18-9-17-11-22-24(19(17)21-10-18)13-15-5-3-2-4-6-15/h2-6,9-11,16H,7-8,12-14H2,1H3/t16-/m0/s1
InChIKeyRRBOXFOZFDLUJT-INIZCTEOSA-N
MW350.42 g/mol
LogP2.59
Rot. Bonds5

About 1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 99818647) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID99818647
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCN(C[C@@H]1CCOC1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C20H22N4O2/c1-23(12-16-7-8-26-14-16)20(25)18-9-17-11-22-24(19(17)21-10-18)13-15-5-3-2-4-6-15/h2-6,9-11,16H,7-8,12-14H2,1H3/t16-/m0/s1
InChIKeyRRBOXFOZFDLUJT-INIZCTEOSA-N
XLogP2.59
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24688178
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 166194053
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 86840006
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 86917444
1-benzyl-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78853204
1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 30531698
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide
CID 119035440
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63711414
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
CID 78836734

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 99818647) is 1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CN(C[C@@H]1CCOC1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is RRBOXFOZFDLUJT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23(12-16-7-8-26-14-16)20(25)18-9-17-11-22-24(19(17)21-10-18)13-15-5-3-2-4-6-15/h2-6,9-11,16H,7-8,12-14H2,1H3/t16-/m0/s1.
What are the key properties of 1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 99818647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).