3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide

C23H19N7O2 — CID 118171349

IUPAC3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1nn(Cc2cccc(C#N)n2)c(C)c1-c1c(C(N)=O)nc2ccccc2c1C(N)=O
InChIInChI=1S/C23H19N7O2/c1-12-18(13(2)30(29-12)11-15-7-5-6-14(10-24)27-15)20-19(22(25)31)16-8-3-4-9-17(16)28-21(20)23(26)32/h3-9H,11H2,1-2H3,(H2,25,31)(H2,26,32)
InChIKeyVZGNTARYDSLNON-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.23
Rot. Bonds5

About 3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide

3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide (PubChem CID 118171349) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
PubChem CID118171349
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1nn(Cc2cccc(C#N)n2)c(C)c1-c1c(C(N)=O)nc2ccccc2c1C(N)=O
InChIInChI=1S/C23H19N7O2/c1-12-18(13(2)30(29-12)11-15-7-5-6-14(10-24)27-15)20-19(22(25)31)16-8-3-4-9-17(16)28-21(20)23(26)32/h3-9H,11H2,1-2H3,(H2,25,31)(H2,26,32)
InChIKeyVZGNTARYDSLNON-UHFFFAOYSA-N
XLogP2.23
TPSA153.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[(6-cyano-2-pyridinyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171876
3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
CID 118172674
3-[3,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172256
3-[1-[(2-cyanophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
CID 118171509
3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118172308
3-[1-[2-(4-fluoroanilino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172635
3-[1-[(4-cyanophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-6,7-difluoroquinoline-2,4-dicarboxamide
CID 118171032
3-[1-[[4-(cyanomethyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
CID 118171775
3-[1-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171668
3-[1-[(4-cyanophenyl)methyl]-3,5-diethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118170957
3-[1-[(3-acetylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118171268
3-[1-[(4-cyanophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoro-6-methoxyquinoline-2,4-dicarboxamide
CID 118171163

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The IUPAC name of 3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide (CID 118171349) is 3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide.
What is the SMILES notation for 3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The canonical SMILES for 3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide is Cc1nn(Cc2cccc(C#N)n2)c(C)c1-c1c(C(N)=O)nc2ccccc2c1C(N)=O.
What is the InChIKey of 3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The InChIKey is VZGNTARYDSLNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-12-18(13(2)30(29-12)11-15-7-5-6-14(10-24)27-15)20-19(22(25)31)16-8-3-4-9-17(16)28-21(20)23(26)32/h3-9H,11H2,1-2H3,(H2,25,31)(H2,26,32).
What are the key properties of 3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide has a molecular weight of 425.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide is sourced from PubChem (CID 118171349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).