N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C24H32N6O — CID 17476474

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2N2CCN(C)CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C24H32N6O/c1-16(2)21-14-18(19-15-25-30(17(3)4)23(19)26-21)24(31)27-20-8-6-7-9-22(20)29-12-10-28(5)11-13-29/h6-9,14-17H,10-13H2,1-5H3,(H,27,31)
InChIKeyQJULTCAKSMTHAQ-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.14
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17476474) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID17476474
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2N2CCN(C)CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C24H32N6O/c1-16(2)21-14-18(19-15-25-30(17(3)4)23(19)26-21)24(31)27-20-8-6-7-9-22(20)29-12-10-28(5)11-13-29/h6-9,14-17H,10-13H2,1-5H3,(H,27,31)
InChIKeyQJULTCAKSMTHAQ-UHFFFAOYSA-N
XLogP4.14
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494016
N-(2,4-dimethylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30426277
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30430326
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55728028
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 120882850
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120882849
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55639554
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30438173
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38584131
N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 60539505

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 17476474) is N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)Nc2ccccc2N2CCN(C)CC2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QJULTCAKSMTHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-16(2)21-14-18(19-15-25-30(17(3)4)23(19)26-21)24(31)27-20-8-6-7-9-22(20)29-12-10-28(5)11-13-29/h6-9,14-17H,10-13H2,1-5H3,(H,27,31).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17476474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).