N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C21H24N4O — CID 42929689

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(C(NC(=O)c2cnc3c(cnn3C(C)C)c2)C2CC2)cc1
InChIInChI=1S/C21H24N4O/c1-13(2)25-20-17(12-23-25)10-18(11-22-20)21(26)24-19(16-8-9-16)15-6-4-14(3)5-7-15/h4-7,10-13,16,19H,8-9H2,1-3H3,(H,24,26)
InChIKeyLDMCBVUDMMNGAA-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.20
Rot. Bonds5

About N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 42929689) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID42929689
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(C(NC(=O)c2cnc3c(cnn3C(C)C)c2)C2CC2)cc1
InChIInChI=1S/C21H24N4O/c1-13(2)25-20-17(12-23-25)10-18(11-22-20)21(26)24-19(16-8-9-16)15-6-4-14(3)5-7-15/h4-7,10-13,16,19H,8-9H2,1-3H3,(H,24,26)
InChIKeyLDMCBVUDMMNGAA-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18151097
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51296666
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 35247874
N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18132141
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701
cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677416
1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75467643
2-methyl-3-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl]propanoic acid
CID 120541413
N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 47016466
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 86975241
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581596

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 42929689) is N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(C(NC(=O)c2cnc3c(cnn3C(C)C)c2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is LDMCBVUDMMNGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13(2)25-20-17(12-23-25)10-18(11-22-20)21(26)24-19(16-8-9-16)15-6-4-14(3)5-7-15/h4-7,10-13,16,19H,8-9H2,1-3H3,(H,24,26).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 42929689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).