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

C28H32N6O — CID 55494016

IUPAC6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3N3CCN(C)CC3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C28H32N6O/c1-19(2)34-27-23(18-29-34)22(17-25(30-27)21-11-9-20(3)10-12-21)28(35)31-24-7-5-6-8-26(24)33-15-13-32(4)14-16-33/h5-12,17-19H,13-16H2,1-4H3,(H,31,35)
InChIKeyBVCRXZFKHAUCKD-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.99
Rot. Bonds5

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

6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55494016) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55494016
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3N3CCN(C)CC3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C28H32N6O/c1-19(2)34-27-23(18-29-34)22(17-25(30-27)21-11-9-20(3)10-12-21)28(35)31-24-7-5-6-8-26(24)33-15-13-32(4)14-16-33/h5-12,17-19H,13-16H2,1-4H3,(H,31,35)
InChIKeyBVCRXZFKHAUCKD-UHFFFAOYSA-N
XLogP4.99
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17476474
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CID 55780060
6-(4-methylphenyl)-N-(2-phenylpyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015894
methyl 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693200
N-butan-2-yl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689566
6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16582727
methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 56543253
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55700434
6-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27991476
N-(4-carbamoyl-3-methylphenyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56517165
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
6-(4-methylphenyl)-1-propan-2-yl-N-[4-(sulfamoylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55552986

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55494016) is 6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccccc3N3CCN(C)CC3)c3cnn(C(C)C)c3n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BVCRXZFKHAUCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-19(2)34-27-23(18-29-34)22(17-25(30-27)21-11-9-20(3)10-12-21)28(35)31-24-7-5-6-8-26(24)33-15-13-32(4)14-16-33/h5-12,17-19H,13-16H2,1-4H3,(H,31,35).
What are the key properties of 6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 468.61 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55494016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).