N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C21H25N5O2 — CID 32636840

IUPACN-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cccc(C(N)=O)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C21H25N5O2/c1-12(2)18-9-16(17-11-24-26(13(3)4)20(17)25-18)21(28)23-10-14-6-5-7-15(8-14)19(22)27/h5-9,11-13H,10H2,1-4H3,(H2,22,27)(H,23,28)
InChIKeyCZRWEPCUFKOUPL-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.16
Rot. Bonds6

About N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 32636840) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID32636840
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cccc(C(N)=O)c2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C21H25N5O2/c1-12(2)18-9-16(17-11-24-26(13(3)4)20(17)25-18)21(28)23-10-14-6-5-7-15(8-14)19(22)27/h5-9,11-13H,10H2,1-4H3,(H2,22,27)(H,23,28)
InChIKeyCZRWEPCUFKOUPL-UHFFFAOYSA-N
XLogP3.16
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-di(propan-2-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55657060
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
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-[(2-methoxy-3-pyridinyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38534502
N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45495918
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30597441
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38584131
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
N-(2-ethyl-2-hydroxybutyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 111463491
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
6-(furan-2-yl)-1-propan-2-yl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55722233

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 32636840) is N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)NCc2cccc(C(N)=O)c2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CZRWEPCUFKOUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-12(2)18-9-16(17-11-24-26(13(3)4)20(17)25-18)21(28)23-10-14-6-5-7-15(8-14)19(22)27/h5-9,11-13H,10H2,1-4H3,(H2,22,27)(H,23,28).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32636840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).