N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

C19H31N5O2 — CID 119599881

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NC(C)(CN)CC(C)C)c(=O)[nH]n2C
InChIInChI=1S/C19H31N5O2/c1-11(2)9-19(5,10-20)22-15(25)8-7-14-12(3)16-17(21-13(14)4)24(6)23-18(16)26/h11H,7-10,20H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyKENALPFQXKLBHM-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.69
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide (PubChem CID 119599881) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
PubChem CID119599881
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NC(C)(CN)CC(C)C)c(=O)[nH]n2C
InChIInChI=1S/C19H31N5O2/c1-11(2)9-19(5,10-20)22-15(25)8-7-14-12(3)16-17(21-13(14)4)24(6)23-18(16)26/h11H,7-10,20H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyKENALPFQXKLBHM-UHFFFAOYSA-N
XLogP1.69
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid
CID 119357388
3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid
CID 39869734
N-(4-hydroxy-2-methylpentyl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 111540041
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide;hydrochloride
CID 119598374
N-[2-(aminomethyl)cyclohexyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119611977
N-[3-(methylamino)propyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119433515
N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119626783
1,4,6-trimethyl-5-[3-[3-(2-methylpropyl)pyrrolidin-1-yl]-3-oxopropyl]-2H-pyrazolo[3,4-b]pyridin-3-one
CID 126784230
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 111484183
N-[2-(3-oxocyclobutyl)ethyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 166307974
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119607128
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119458898

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide (CID 119599881) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide is Cc1nc2c(c(C)c1CCC(=O)NC(C)(CN)CC(C)C)c(=O)[nH]n2C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
The InChIKey is KENALPFQXKLBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-11(2)9-19(5,10-20)22-15(25)8-7-14-12(3)16-17(21-13(14)4)24(6)23-18(16)26/h11H,7-10,20H2,1-6H3,(H,22,25)(H,23,26).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide has a molecular weight of 361.49 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 119599881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).