N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C25H30N4O — CID 55521173

IUPACN,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)c12
InChIInChI=1S/C25H30N4O/c1-15(2)18-7-5-17(6-8-18)14-29(20-11-12-20)25(30)21-13-22(19-9-10-19)26-24-23(21)16(3)27-28(24)4/h5-8,13,15,19-20H,9-12,14H2,1-4H3
InChIKeyLRYMVTKWLYKYSO-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.08
Rot. Bonds6

About N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55521173) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55521173
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)c12
InChIInChI=1S/C25H30N4O/c1-15(2)18-7-5-17(6-8-18)14-29(20-11-12-20)25(30)21-13-22(19-9-10-19)26-24-23(21)16(3)27-28(24)4/h5-8,13,15,19-20H,9-12,14H2,1-4H3
InChIKeyLRYMVTKWLYKYSO-UHFFFAOYSA-N
XLogP5.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55521173) is N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)c12.
What is the InChIKey of N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LRYMVTKWLYKYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-15(2)18-7-5-17(6-8-18)14-29(20-11-12-20)25(30)21-13-22(19-9-10-19)26-24-23(21)16(3)27-28(24)4/h5-8,13,15,19-20H,9-12,14H2,1-4H3.
What are the key properties of N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dicyclopropyl-1,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55521173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).