N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C20H25N5O — CID 120884432

IUPACN-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCN)CCc2ccccc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C20H25N5O/c1-14-13-17(18-15(2)23-24(3)19(18)22-14)20(26)25(12-10-21)11-9-16-7-5-4-6-8-16/h4-8,13H,9-12,21H2,1-3H3
InChIKeyBGCINMJIPVGELL-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.23
Rot. Bonds6

About N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 120884432) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID120884432
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCN)CCc2ccccc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C20H25N5O/c1-14-13-17(18-15(2)23-24(3)19(18)22-14)20(26)25(12-10-21)11-9-16-7-5-4-6-8-16/h4-8,13H,9-12,21H2,1-3H3
InChIKeyBGCINMJIPVGELL-UHFFFAOYSA-N
XLogP2.23
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86954768
N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 120886612
1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 35337685
[4-(2-phenylethyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 24627504
2-[2-methoxyethyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 119189354
N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155965372
N,N-bis(2-methoxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535167
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
N-benzyl-6-cyclopropyl-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31741626
N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 120886952
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120884813

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 120884432) is N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(CCN)CCc2ccccc2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is BGCINMJIPVGELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-13-17(18-15(2)23-24(3)19(18)22-14)20(26)25(12-10-21)11-9-16-7-5-4-6-8-16/h4-8,13H,9-12,21H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,3,6-trimethyl-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 120884432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).