N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide

C21H21N5O — CID 1400841

IUPACN-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide
SMILESCc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccn1)nn3CC(C)C
InChIInChI=1S/C21H21N5O/c1-13(2)12-26-20-16(11-15-10-14(3)7-8-17(15)23-20)19(25-26)24-21(27)18-6-4-5-9-22-18/h4-11,13H,12H2,1-3H3,(H,24,25,27)
InChIKeyKMAPSZBWNBFTEF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.20
Rot. Bonds4

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

N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide (PubChem CID 1400841) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide
PubChem CID1400841
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide
SMILESCc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccn1)nn3CC(C)C
InChIInChI=1S/C21H21N5O/c1-13(2)12-26-20-16(11-15-10-14(3)7-8-17(15)23-20)19(25-26)24-21(27)18-6-4-5-9-22-18/h4-11,13H,12H2,1-3H3,(H,24,25,27)
InChIKeyKMAPSZBWNBFTEF-UHFFFAOYSA-N
XLogP4.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide (CID 1400841) is N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide is Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccn1)nn3CC(C)C.
What is the InChIKey of N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide?
The InChIKey is KMAPSZBWNBFTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13(2)12-26-20-16(11-15-10-14(3)7-8-17(15)23-20)19(25-26)24-21(27)18-6-4-5-9-22-18/h4-11,13H,12H2,1-3H3,(H,24,25,27).
What are the key properties of N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide?
N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 1400841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).