N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C19H31N5O2 — CID 119607128

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NC(C)(CN)C(C)C)c(C)c12
InChIInChI=1S/C19H31N5O2/c1-11(2)19(5,10-20)22-15(25)9-8-14-12(3)16-17(21-13(14)4)24(6)23-18(16)26-7/h11H,8-10,20H2,1-7H3,(H,22,25)
InChIKeyIHPFWKFHZWFDGN-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.02
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 119607128) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID119607128
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NC(C)(CN)C(C)C)c(C)c12
InChIInChI=1S/C19H31N5O2/c1-11(2)19(5,10-20)22-15(25)9-8-14-12(3)16-17(21-13(14)4)24(6)23-18(16)26-7/h11H,8-10,20H2,1-7H3,(H,22,25)
InChIKeyIHPFWKFHZWFDGN-UHFFFAOYSA-N
XLogP2.02
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119570237
N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119641632
3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
CID 119351297
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55908067
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55777701
N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]propanamide
CID 39607211
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 86970961
N-(1-cyanocyclohexyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 87012100
N-(2-methoxy-2-phenylethyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 60543932

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 119607128) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is COc1nn(C)c2nc(C)c(CCC(=O)NC(C)(CN)C(C)C)c(C)c12.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is IHPFWKFHZWFDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-11(2)19(5,10-20)22-15(25)9-8-14-12(3)16-17(21-13(14)4)24(6)23-18(16)26-7/h11H,8-10,20H2,1-7H3,(H,22,25).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 361.49 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 119607128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).