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

C25H27ClF3N7 — CID 162378906

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

(4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 162378906) has the molecular formula C25H27ClF3N7 and a molecular weight of 517.99 g/mol. Its IUPAC name is (4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

• Compound Name: (4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
• PubChem CID: 162378906
• Molecular Formula: C25H27ClF3N7
• Molecular Weight: 517.99 g/mol
• Exact Mass: 517.20
• IUPAC Name: (4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
• SMILES: CCn1cc(C(F)(F)F)nc1-c1ccc(N[C@H]2CCCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1
• InChI: InChI=1S/C25H27ClF3N7/c1-4-34-14-22(25(27,28)29)32-24(34)16-7-9-17(10-8-16)31-19-6-5-11-35-21(19)12-20(33-35)23-18(26)13-30-36(23)15(2)3/h7-10,12-15,19,31H,4-6,11H2,1-3H3/t19-/m0/s1
• InChIKey: QOMZVPZNNCUCLO-IBGZPJMESA-N
• XLogP: 6.83
• TPSA: 65.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.99
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 162378906) is (4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

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

The canonical SMILES for (4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is CCn1cc(C(F)(F)F)nc1-c1ccc(N[C@H]2CCCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1.

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

The InChIKey is QOMZVPZNNCUCLO-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27ClF3N7/c1-4-34-14-22(25(27,28)29)32-24(34)16-7-9-17(10-8-16)31-19-6-5-11-35-21(19)12-20(33-35)23-18(26)13-30-36(23)15(2)3/h7-10,12-15,19,31H,4-6,11H2,1-3H3/t19-/m0/s1.

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

(4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 517.99 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 162378906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).