1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C18H21N5O — CID 95278092

IUPAC1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCC[C@@H](C)n1ncc2c(C(=O)Nc3cc(C)ccn3)cc(C)nc21
InChIInChI=1S/C18H21N5O/c1-5-13(4)23-17-15(10-20-23)14(9-12(3)21-17)18(24)22-16-8-11(2)6-7-19-16/h6-10,13H,5H2,1-4H3,(H,19,22,24)/t13-/m1/s1
InChIKeyFDLYRUMJLZMFPS-CYBMUJFWSA-N
MW323.40 g/mol
LogP3.67
Rot. Bonds4

About 1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide

1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 95278092) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID95278092
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCC[C@@H](C)n1ncc2c(C(=O)Nc3cc(C)ccn3)cc(C)nc21
InChIInChI=1S/C18H21N5O/c1-5-13(4)23-17-15(10-20-23)14(9-12(3)21-17)18(24)22-16-8-11(2)6-7-19-16/h6-10,13H,5H2,1-4H3,(H,19,22,24)/t13-/m1/s1
InChIKeyFDLYRUMJLZMFPS-CYBMUJFWSA-N
XLogP3.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

6-methyl-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42023810
1-[(2R)-butan-2-yl]-6-methyl-N-[(1S)-1-pyridin-2-ylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 95156417
N-(2-aminophenyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119422061
1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 28842366
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoic acid
CID 120522396
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 120522210
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylbenzoic acid
CID 120522318
1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 95273942
1-butan-2-yl-N-[2-(ethylaminomethyl)phenyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119439169
(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363231
1-butan-2-yl-6-methyl-N-[2-(methylamino)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120831658
N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119997513

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 95278092) is 1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide is CC[C@@H](C)n1ncc2c(C(=O)Nc3cc(C)ccn3)cc(C)nc21.
What is the InChIKey of 1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is FDLYRUMJLZMFPS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N5O/c1-5-13(4)23-17-15(10-20-23)14(9-12(3)21-17)18(24)22-16-8-11(2)6-7-19-16/h6-10,13H,5H2,1-4H3,(H,19,22,24)/t13-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 95278092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).