N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide

C21H21N5O — CID 1399895

IUPACN-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
SMILESCc1cccc2cc3c(NC(=O)c4ccccn4)nn(CC(C)C)c3nc12
InChIInChI=1S/C21H21N5O/c1-13(2)12-26-20-16(11-15-8-6-7-14(3)18(15)23-20)19(25-26)24-21(27)17-9-4-5-10-22-17/h4-11,13H,12H2,1-3H3,(H,24,25,27)
InChIKeyYPJJZYRDULQJSO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.20
Rot. Bonds4

About N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide

N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide (PubChem CID 1399895) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
PubChem CID1399895
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
SMILESCc1cccc2cc3c(NC(=O)c4ccccn4)nn(CC(C)C)c3nc12
InChIInChI=1S/C21H21N5O/c1-13(2)12-26-20-16(11-15-8-6-7-14(3)18(15)23-20)19(25-26)24-21(27)17-9-4-5-10-22-17/h4-11,13H,12H2,1-3H3,(H,24,25,27)
InChIKeyYPJJZYRDULQJSO-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

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Related Compounds

N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1401425
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 942196
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
CID 944098
3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 1265565
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1390670
2-fluoro-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2005196
3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1414949
4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2018838
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 664497
5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
CID 3162704
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)-4-nitrobenzamide
CID 1422648
4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258195

Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide (CID 1399895) is N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide is Cc1cccc2cc3c(NC(=O)c4ccccn4)nn(CC(C)C)c3nc12.
What is the InChIKey of N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide?
The InChIKey is YPJJZYRDULQJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13(2)12-26-20-16(11-15-8-6-7-14(3)18(15)23-20)19(25-26)24-21(27)17-9-4-5-10-22-17/h4-11,13H,12H2,1-3H3,(H,24,25,27).
What are the key properties of N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide?
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-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-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 1399895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).