3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one

C24H17ClF3N5O2 — CID 171827997

About 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one

3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 171827997) has the molecular formula C24H17ClF3N5O2 and a molecular weight of 499.88 g/mol. Its IUPAC name is 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 171827997
• Molecular Formula: C24H17ClF3N5O2
• Molecular Weight: 499.88 g/mol
• Exact Mass: 499.10
• IUPAC Name: 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: Cn1cc(-c2ccccc2)c(-c2cn(C)c(=O)c3[nH]c(-c4cnn(C(F)(F)F)c4)c(Cl)c23)cc1=O
• InChI: InChI=1S/C24H17ClF3N5O2/c1-31-11-16(13-6-4-3-5-7-13)15(8-18(31)34)17-12-32(2)23(35)22-19(17)20(25)21(30-22)14-9-29-33(10-14)24(26,27)28/h3-12,30H,1-2H3
• InChIKey: KRBJZAGYFBCREK-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 77.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.88
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 171827997) is 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2ccccc2)c(-c2cn(C)c(=O)c3[nH]c(-c4cnn(C(F)(F)F)c4)c(Cl)c23)cc1=O.

What is the InChIKey of 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is KRBJZAGYFBCREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O2/c1-31-11-16(13-6-4-3-5-7-13)15(8-18(31)34)17-12-32(2)23(35)22-19(17)20(25)21(30-22)14-9-29-33(10-14)24(26,27)28/h3-12,30H,1-2H3.

What are the key properties of 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?

3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 499.88 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-methyl-4-(1-methyl-2-oxo-5-phenyl-4-pyridinyl)-2-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 171827997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).