6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H29N7O — CID 131973222

IUPAC6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCc3ccncc3)cc(-c3cccc(CNCCN)c3)nc21
InChIInChI=1S/C25H29N7O/c1-17(2)32-24-22(16-30-32)21(25(33)29-15-18-6-9-27-10-7-18)13-23(31-24)20-5-3-4-19(12-20)14-28-11-8-26/h3-7,9-10,12-13,16-17,28H,8,11,14-15,26H2,1-2H3,(H,29,33)
InChIKeyXVOBJLDXPTYWNI-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.05
Rot. Bonds9

About 6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 131973222) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID131973222
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCc3ccncc3)cc(-c3cccc(CNCCN)c3)nc21
InChIInChI=1S/C25H29N7O/c1-17(2)32-24-22(16-30-32)21(25(33)29-15-18-6-9-27-10-7-18)13-23(31-24)20-5-3-4-19(12-20)14-28-11-8-26/h3-7,9-10,12-13,16-17,28H,8,11,14-15,26H2,1-2H3,(H,29,33)
InChIKeyXVOBJLDXPTYWNI-UHFFFAOYSA-N
XLogP3.05
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(2,6-difluorophenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131973231
6-(furan-2-yl)-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51291950
6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131973239
N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119497417
6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131973250
1-propan-2-yl-N-(pyridin-3-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36922798
6-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27554312
N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119497416
N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32636840
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131980580
6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27741134
N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45495918

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 131973222) is 6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NCc3ccncc3)cc(-c3cccc(CNCCN)c3)nc21.
What is the InChIKey of 6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XVOBJLDXPTYWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-17(2)32-24-22(16-30-32)21(25(33)29-15-18-6-9-27-10-7-18)13-23(31-24)20-5-3-4-19(12-20)14-28-11-8-26/h3-7,9-10,12-13,16-17,28H,8,11,14-15,26H2,1-2H3,(H,29,33).
What are the key properties of 6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 443.56 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 131973222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).