[6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone

C24H34N6O — CID 131981101

IUPAC[6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
SMILESCC(C)N1NCc2c(C(=O)N3CCCCC3)cc(-c3cccc(CNCCN)c3)nc21
InChIInChI=1S/C24H34N6O/c1-17(2)30-23-21(16-27-30)20(24(31)29-11-4-3-5-12-29)14-22(28-23)19-8-6-7-18(13-19)15-26-10-9-25/h6-8,13-14,17,26-27H,3-5,9-12,15-16,25H2,1-2H3
InChIKeyNDSWKTYGBAFWSO-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.66
Rot. Bonds7

About [6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone

[6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone (PubChem CID 131981101) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is [6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
PubChem CID131981101
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name[6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
SMILESCC(C)N1NCc2c(C(=O)N3CCCCC3)cc(-c3cccc(CNCCN)c3)nc21
InChIInChI=1S/C24H34N6O/c1-17(2)30-23-21(16-27-30)20(24(31)29-11-4-3-5-12-29)14-22(28-23)19-8-6-7-18(13-19)15-26-10-9-25/h6-8,13-14,17,26-27H,3-5,9-12,15-16,25H2,1-2H3
InChIKeyNDSWKTYGBAFWSO-UHFFFAOYSA-N
XLogP2.66
TPSA86.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone 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

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
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
6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 131973222
6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(2,6-difluorophenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131973231
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
[4-chloro-2-[(3-methylphenyl)methylamino]phenyl]-piperidin-1-ylmethanone
CID 52703546
[4-[4-[(3-methylphenyl)methylamino]-6-[4-(piperidine-1-carbonyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-piperidin-1-ylmethanone
CID 142845614
methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate
CID 75488391
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322449
[3-[[2-(N-methyl-2-propan-2-yloxyanilino)ethylamino]methyl]phenyl]-piperidin-1-ylmethanone
CID 11189054
3-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]benzoic acid
CID 103263214

Frequently Asked Questions

What is the IUPAC name of [6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone (CID 131981101) is [6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone is CC(C)N1NCc2c(C(=O)N3CCCCC3)cc(-c3cccc(CNCCN)c3)nc21.
What is the InChIKey of [6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is NDSWKTYGBAFWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-17(2)30-23-21(16-27-30)20(24(31)29-11-4-3-5-12-29)14-22(28-23)19-8-6-7-18(13-19)15-26-10-9-25/h6-8,13-14,17,26-27H,3-5,9-12,15-16,25H2,1-2H3.
What are the key properties of [6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
[6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 422.58 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[(2-aminoethylamino)methyl]phenyl]-1-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 131981101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).