N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C20H24N6O2 — CID 120604207

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C20H24N6O2/c1-12(2)26-18-14(11-23-26)10-16(13(3)24-18)20(28)25-17-7-5-4-6-15(17)19(27)22-9-8-21/h4-7,10-12H,8-9,21H2,1-3H3,(H,22,27)(H,25,28)
InChIKeyPOBRLUCERODGLW-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 120604207) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID120604207
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C20H24N6O2/c1-12(2)26-18-14(11-23-26)10-16(13(3)24-18)20(28)25-17-7-5-4-6-15(17)19(27)22-9-8-21/h4-7,10-12H,8-9,21H2,1-3H3,(H,22,27)(H,25,28)
InChIKeyPOBRLUCERODGLW-UHFFFAOYSA-N
XLogP2.26
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41499506
N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55881316
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25497145
N-(2,4-dichlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484356
N-(2,5-difluorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484970
N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 35805438
6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429541
N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 120604390
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528856
6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 41413354
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyl]benzoic acid
CID 120512999
N-(3-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484239

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 120604207) is N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1C(=O)NCCN.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is POBRLUCERODGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12(2)26-18-14(11-23-26)10-16(13(3)24-18)20(28)25-17-7-5-4-6-15(17)19(27)22-9-8-21/h4-7,10-12H,8-9,21H2,1-3H3,(H,22,27)(H,25,28).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 120604207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).