6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide

C28H35FN6O — CID 131981016

IUPAC6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCC(C)N1NCc2c(C(=O)N(C)Cc3ccccc3F)cc(-c3cccc(CN(C)CCN)c3)nc21
InChIInChI=1S/C28H35FN6O/c1-19(2)35-27-24(16-31-35)23(28(36)34(4)18-22-9-5-6-11-25(22)29)15-26(32-27)21-10-7-8-20(14-21)17-33(3)13-12-30/h5-11,14-15,19,31H,12-13,16-18,30H2,1-4H3
InChIKeyIMUGQMWNHXPBOE-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.78
Rot. Bonds9

About 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide

6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 131981016) has the molecular formula C28H35FN6O and a molecular weight of 490.63 g/mol. Its IUPAC name is 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID131981016
Molecular FormulaC28H35FN6O
Molecular Weight490.63 g/mol
Exact Mass490.29
IUPAC Name6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCC(C)N1NCc2c(C(=O)N(C)Cc3ccccc3F)cc(-c3cccc(CN(C)CCN)c3)nc21
InChIInChI=1S/C28H35FN6O/c1-19(2)35-27-24(16-31-35)23(28(36)34(4)18-22-9-5-6-11-25(22)29)15-26(32-27)21-10-7-8-20(14-21)17-33(3)13-12-30/h5-11,14-15,19,31H,12-13,16-18,30H2,1-4H3
InChIKeyIMUGQMWNHXPBOE-UHFFFAOYSA-N
XLogP3.78
TPSA77.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dimethyl-N'-[[3-[4-(methylamino)-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine
CID 131981000
N,N'-dimethyl-N'-[[3-(1-propan-2-yl-4-propyl-2,3-dihydropyrazolo[3,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine
CID 131980830
[6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 131981101
N-[5-[(1-methylazetidin-2-yl)methylamino]-5-oxopentyl]-6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide
CID 131981001
6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131973250
N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 112789852
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
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylbenzoyl)benzamide
CID 36816287
N-[(2-fluorophenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86908480
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 43248666
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide (CID 131981016) is 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide is CC(C)N1NCc2c(C(=O)N(C)Cc3ccccc3F)cc(-c3cccc(CN(C)CCN)c3)nc21.
What is the InChIKey of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is IMUGQMWNHXPBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN6O/c1-19(2)35-27-24(16-31-35)23(28(36)34(4)18-22-9-5-6-11-25(22)29)15-26(32-27)21-10-7-8-20(14-21)17-33(3)13-12-30/h5-11,14-15,19,31H,12-13,16-18,30H2,1-4H3.
What are the key properties of 6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide?
6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 3.78, 9 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-[(2-fluorophenyl)methyl]-N-methyl-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 131981016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).