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

C26H36N6O — CID 55728028

IUPACN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C26H36N6O/c1-18(2)24-14-22(23-16-28-32(19(3)4)25(23)29-24)26(33)27-15-20-6-8-21(9-7-20)17-31-12-10-30(5)11-13-31/h6-9,14,16,18-19H,10-13,15,17H2,1-5H3,(H,27,33)
InChIKeyNLTULIPXYCOCKS-UHFFFAOYSA-N
MW448.62 g/mol
LogP3.81
Rot. Bonds7

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

N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55728028) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55728028
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC NameN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C26H36N6O/c1-18(2)24-14-22(23-16-28-32(19(3)4)25(23)29-24)26(33)27-15-20-6-8-21(9-7-20)17-31-12-10-30(5)11-13-31/h6-9,14,16,18-19H,10-13,15,17H2,1-5H3,(H,27,33)
InChIKeyNLTULIPXYCOCKS-UHFFFAOYSA-N
XLogP3.81
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 56552201
1,6-di(propan-2-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55657060
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16574118
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31595087
N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32636840
N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17476474
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55729815
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30597441
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38542414
N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 60539505
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55728028) is N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NLTULIPXYCOCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O/c1-18(2)24-14-22(23-16-28-32(19(3)4)25(23)29-24)26(33)27-15-20-6-8-21(9-7-20)17-31-12-10-30(5)11-13-31/h6-9,14,16,18-19H,10-13,15,17H2,1-5H3,(H,27,33).
What are the key properties of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 448.62 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55728028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).