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

C23H30N6O — CID 131973250

IUPAC6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NC3CC3)cc(-c3cccc(CN(C)CCN)c3)nc21
InChIInChI=1S/C23H30N6O/c1-15(2)29-22-20(13-25-29)19(23(30)26-18-7-8-18)12-21(27-22)17-6-4-5-16(11-17)14-28(3)10-9-24/h4-6,11-13,15,18H,7-10,14,24H2,1-3H3,(H,26,30)
InChIKeyWRAUEZFVCPGYDN-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.96
Rot. Bonds8

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

6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 131973250) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID131973250
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NC3CC3)cc(-c3cccc(CN(C)CCN)c3)nc21
InChIInChI=1S/C23H30N6O/c1-15(2)29-22-20(13-25-29)19(23(30)26-18-7-8-18)12-21(27-22)17-6-4-5-16(11-17)14-28(3)10-9-24/h4-6,11-13,15,18H,7-10,14,24H2,1-3H3,(H,26,30)
InChIKeyWRAUEZFVCPGYDN-UHFFFAOYSA-N
XLogP2.96
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-[[2-(cyclopropylamino)ethyl-methylamino]methyl]phenyl]-N-(oxan-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131980856
3-[methyl-[[3-[4-(oxan-4-ylcarbamoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]amino]propyl carbamate
CID 118958753
6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465595
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-(4-aminocyclohexyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119476936
ethyl 6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 131980780
(3-fluoropyrrolidin-1-yl)-[6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 131980732
6-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465727
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46551293
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-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119452068
6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 131973222

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 131973250) is 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NC3CC3)cc(-c3cccc(CN(C)CCN)c3)nc21.
What is the InChIKey of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WRAUEZFVCPGYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-15(2)29-22-20(13-25-29)19(23(30)26-18-7-8-18)12-21(27-22)17-6-4-5-16(11-17)14-28(3)10-9-24/h4-6,11-13,15,18H,7-10,14,24H2,1-3H3,(H,26,30).
What are the key properties of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 131973250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).