1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C19H22N4O — CID 43042463

IUPAC1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)C(C)NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C19H22N4O/c1-13(2)14(3)22-19(24)17-9-16-11-21-23(18(16)20-10-17)12-15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3,(H,22,24)
InChIKeyXIHPAMFNGGGMLL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.25
Rot. Bonds5

About 1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 43042463) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID43042463
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)C(C)NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C19H22N4O/c1-13(2)14(3)22-19(24)17-9-16-11-21-23(18(16)20-10-17)12-15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3,(H,22,24)
InChIKeyXIHPAMFNGGGMLL-UHFFFAOYSA-N
XLogP3.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 32607487
1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 86941781
1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624200
N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18148926
1-benzyl-N-(2-ethoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87020146
1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 17473060
1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75468059
1-benzyl-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24668547
1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78891259
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 43042463) is 1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)C(C)NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XIHPAMFNGGGMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)14(3)22-19(24)17-9-16-11-21-23(18(16)20-10-17)12-15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3,(H,22,24).
What are the key properties of 1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 43042463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).