N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C29H34N6O — CID 32624969

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)c12
InChIInChI=1S/C29H34N6O/c1-20(2)26-18-25(27-21(3)32-33(4)28(27)31-26)29(36)30-23-10-12-24(13-11-23)35-16-14-34(15-17-35)19-22-8-6-5-7-9-22/h5-13,18,20H,14-17,19H2,1-4H3,(H,30,36)
InChIKeyXCUMXDVKLOFVMP-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.97
Rot. Bonds6

About N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 32624969) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID32624969
Molecular FormulaC29H34N6O
Molecular Weight482.63 g/mol
Exact Mass482.28
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)c12
InChIInChI=1S/C29H34N6O/c1-20(2)26-18-25(27-21(3)32-33(4)28(27)31-26)29(36)30-23-10-12-24(13-11-23)35-16-14-34(15-17-35)19-22-8-6-5-7-9-22/h5-13,18,20H,14-17,19H2,1-4H3,(H,30,36)
InChIKeyXCUMXDVKLOFVMP-UHFFFAOYSA-N
XLogP4.97
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32758884
N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32686520
1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33158849
N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32951263
1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25469310
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 2945842
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 42313354
N-(3-chloro-2-fluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30386091
1,3-dimethyl-6-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38034962
1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 38447194
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methyl-3-phenylbenzamide
CID 141188313
1,3-dimethyl-6-propan-2-yl-N-(1H-1,2,4-triazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30864364

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 32624969) is N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)c12.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XCUMXDVKLOFVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O/c1-20(2)26-18-25(27-21(3)32-33(4)28(27)31-26)29(36)30-23-10-12-24(13-11-23)35-16-14-34(15-17-35)19-22-8-6-5-7-9-22/h5-13,18,20H,14-17,19H2,1-4H3,(H,30,36).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32624969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).