5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one

C24H25ClN4O — CID 135880351

IUPAC5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccccc3)cc12
InChIInChI=1S/C24H25ClN4O/c1-24(2,3)21-20-13-17(15-26-14-16-7-5-4-6-8-16)23(30)27-22(20)29(28-21)19-11-9-18(25)10-12-19/h4-13,26H,14-15H2,1-3H3,(H,27,30)
InChIKeyBFIHLBQYECDQQC-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.95
Rot. Bonds5

About 5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one

5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135880351) has the molecular formula C24H25ClN4O and a molecular weight of 420.94 g/mol. Its IUPAC name is 5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135880351
Molecular FormulaC24H25ClN4O
Molecular Weight420.94 g/mol
Exact Mass420.17
IUPAC Name5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccccc3)cc12
InChIInChI=1S/C24H25ClN4O/c1-24(2,3)21-20-13-17(15-26-14-16-7-5-4-6-8-16)23(30)27-22(20)29(28-21)19-11-9-18(25)10-12-19/h4-13,26H,14-15H2,1-3H3,(H,27,30)
InChIKeyBFIHLBQYECDQQC-UHFFFAOYSA-N
XLogP4.95
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one 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

3-tert-butyl-1-(4-chlorophenyl)-5-[[(4-fluorophenyl)methylamino]methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135880352
3-tert-butyl-1-(4-chlorophenyl)-5-[[(4-methoxyphenyl)methylamino]methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135973769
3-tert-butyl-1-phenyl-5-[[4-(trifluoromethoxy)anilino]methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135417958
3-tert-butyl-5-[(4-cyclohexylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135417948
5-[[(2-fluorophenyl)methylamino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802727
1-[4-(fluoromethyl)phenyl]-5-[[(4-fluorophenyl)methylamino]methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136500103
3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135495879
3-(3-fluorocyclohexyl)-5-[[(4-fluorophenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[3,4-b]pyridin-6-one
CID 143498105
1-(4-chlorophenyl)-5-[(3-ethoxyanilino)methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136881903
5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135417990
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine
CID 83083511
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802716

Frequently Asked Questions

What is the IUPAC name of 5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135880351) is 5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one is CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccccc3)cc12.
What is the InChIKey of 5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is BFIHLBQYECDQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O/c1-24(2,3)21-20-13-17(15-26-14-16-7-5-4-6-8-16)23(30)27-22(20)29(28-21)19-11-9-18(25)10-12-19/h4-13,26H,14-15H2,1-3H3,(H,27,30).
What are the key properties of 5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 420.94 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135880351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).