1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H21N5O — CID 167984793

IUPAC1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc2ncccc2c1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C
InChIInChI=1S/C25H21N5O/c1-15-11-12-20-18(10-7-13-26-20)23(15)28-25(31)19-14-21(17-8-5-4-6-9-17)27-24-22(19)16(2)29-30(24)3/h4-14H,1-3H3,(H,28,31)
InChIKeyXPTXLGHWUKODGV-UHFFFAOYSA-N
MW407.48 g/mol
LogP5.05
Rot. Bonds3

About 1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 167984793) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID167984793
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc2ncccc2c1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C
InChIInChI=1S/C25H21N5O/c1-15-11-12-20-18(10-7-13-26-20)23(15)28-25(31)19-14-21(17-8-5-4-6-9-17)27-24-22(19)16(2)29-30(24)3/h4-14H,1-3H3,(H,28,31)
InChIKeyXPTXLGHWUKODGV-UHFFFAOYSA-N
XLogP5.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-[2-methyl-6-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167858874
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
1,3-dimethyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31171942
1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43038283
1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16606126
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895
1,3-dimethyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207441
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55783589

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 167984793) is 1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc2ncccc2c1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C.
What is the InChIKey of 1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XPTXLGHWUKODGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c1-15-11-12-20-18(10-7-13-26-20)23(15)28-25(31)19-14-21(17-8-5-4-6-9-17)27-24-22(19)16(2)29-30(24)3/h4-14H,1-3H3,(H,28,31).
What are the key properties of 1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(6-methylquinolin-5-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 167984793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).