4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C23H22ClF3N6O2 — CID 59022709

About 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 59022709) has the molecular formula C23H22ClF3N6O2 and a molecular weight of 506.92 g/mol. Its IUPAC name is 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• PubChem CID: 59022709
• Molecular Formula: C23H22ClF3N6O2
• Molecular Weight: 506.92 g/mol
• Exact Mass: 506.14
• IUPAC Name: 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• SMILES: Cc1nc2c(c(NC(=O)c3cc(C(F)(F)F)nn3-c3ncccc3Cl)c1C(=O)NC(C)C)CCC2
• InChI: InChI=1S/C23H22ClF3N6O2/c1-11(2)29-22(35)18-12(3)30-15-8-4-6-13(15)19(18)31-21(34)16-10-17(23(25,26)27)32-33(16)20-14(24)7-5-9-28-20/h5,7,9-11H,4,6,8H2,1-3H3,(H,29,35)(H,30,31,34)
• InChIKey: SDGUERIENSOMMH-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.92
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The IUPAC name of 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 59022709) is 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

What is the SMILES notation for 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The canonical SMILES for 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is Cc1nc2c(c(NC(=O)c3cc(C(F)(F)F)nn3-c3ncccc3Cl)c1C(=O)NC(C)C)CCC2.

What is the InChIKey of 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The InChIKey is SDGUERIENSOMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N6O2/c1-11(2)29-22(35)18-12(3)30-15-8-4-6-13(15)19(18)31-21(34)16-10-17(23(25,26)27)32-33(16)20-14(24)7-5-9-28-20/h5,7,9-11H,4,6,8H2,1-3H3,(H,29,35)(H,30,31,34).

What are the key properties of 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 506.92 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 59022709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).