N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C21H25FN4O — CID 42927719

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(c2ccc(F)cc2)C(C)C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C21H25FN4O/c1-12(2)19(15-6-8-16(22)9-7-15)25-21(27)17-10-14(5)24-20-18(17)11-23-26(20)13(3)4/h6-13,19H,1-5H3,(H,25,27)
InChIKeyWOLTYXDJQOTPLD-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.59
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 42927719) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID42927719
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(c2ccc(F)cc2)C(C)C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C21H25FN4O/c1-12(2)19(15-6-8-16(22)9-7-15)25-21(27)17-10-14(5)24-20-18(17)11-23-26(20)13(3)4/h6-13,19H,1-5H3,(H,25,27)
InChIKeyWOLTYXDJQOTPLD-UHFFFAOYSA-N
XLogP4.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-[1-(4-methylphenyl)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42927620
N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120567750
6-methyl-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42023810
2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120523353
N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42152657
N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45495918
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46474082
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 98695287
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 120522210
4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120702787
6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78831279

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 42927719) is N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC(c2ccc(F)cc2)C(C)C)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is WOLTYXDJQOTPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-12(2)19(15-6-8-16(22)9-7-15)25-21(27)17-10-14(5)24-20-18(17)11-23-26(20)13(3)4/h6-13,19H,1-5H3,(H,25,27).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 42927719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).