3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide

C23H18FN7O2 — CID 118172308

About 3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide

3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide (PubChem CID 118172308) has the molecular formula C23H18FN7O2 and a molecular weight of 443.44 g/mol. Its IUPAC name is 3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide.

Molecular Properties

• Compound Name: 3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
• PubChem CID: 118172308
• Molecular Formula: C23H18FN7O2
• Molecular Weight: 443.44 g/mol
• Exact Mass: 443.15
• IUPAC Name: 3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
• SMILES: Cc1nn(Cc2ccc(C#N)nc2)c(C)c1-c1c(C(N)=O)nc2cc(F)ccc2c1C(N)=O
• InChI: InChI=1S/C23H18FN7O2/c1-11-18(12(2)31(30-11)10-13-3-5-15(8-25)28-9-13)20-19(22(26)32)16-6-4-14(24)7-17(16)29-21(20)23(27)33/h3-7,9H,10H2,1-2H3,(H2,26,32)(H2,27,33)
• InChIKey: BKRFFVZGKRSQAS-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 153.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.44
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?

The IUPAC name of 3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide (CID 118172308) is 3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide.

What is the SMILES notation for 3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?

The canonical SMILES for 3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide is Cc1nn(Cc2ccc(C#N)nc2)c(C)c1-c1c(C(N)=O)nc2cc(F)ccc2c1C(N)=O.

What is the InChIKey of 3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?

The InChIKey is BKRFFVZGKRSQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O2/c1-11-18(12(2)31(30-11)10-13-3-5-15(8-25)28-9-13)20-19(22(26)32)16-6-4-14(24)7-17(16)29-21(20)23(27)33/h3-7,9H,10H2,1-2H3,(H2,26,32)(H2,27,33).

What are the key properties of 3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?

3-[1-[(6-cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide has a molecular weight of 443.44 g/mol, XLogP of 2.37, 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-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide is sourced from PubChem (CID 118172308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).