2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

C25H26ClF4N7 — CID 162378103

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 162378103) has the molecular formula C25H26ClF4N7 and a molecular weight of 535.98 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

• Compound Name: 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
• PubChem CID: 162378103
• Molecular Formula: C25H26ClF4N7
• Molecular Weight: 535.98 g/mol
• Exact Mass: 535.19
• IUPAC Name: 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
• SMILES: CCn1cc(C(F)(F)F)nc1-c1ccc(NC2CCCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1F
• InChI: InChI=1S/C25H26ClF4N7/c1-4-35-13-22(25(28,29)30)33-24(35)16-8-7-15(10-18(16)27)32-19-6-5-9-36-21(19)11-20(34-36)23-17(26)12-31-37(23)14(2)3/h7-8,10-14,19,32H,4-6,9H2,1-3H3
• InChIKey: LICNCHZVDABFFA-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 65.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.98
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?

The IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 162378103) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

What is the SMILES notation for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?

The canonical SMILES for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is CCn1cc(C(F)(F)F)nc1-c1ccc(NC2CCCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1F.

What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?

The InChIKey is LICNCHZVDABFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF4N7/c1-4-35-13-22(25(28,29)30)33-24(35)16-8-7-15(10-18(16)27)32-19-6-5-9-36-21(19)11-20(34-36)23-17(26)12-31-37(23)14(2)3/h7-8,10-14,19,32H,4-6,9H2,1-3H3.

What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 535.98 g/mol, XLogP of 6.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 162378103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).