2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide

C17H20F3N5O — CID 97346977

About 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide

2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide (PubChem CID 97346977) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide
• PubChem CID: 97346977
• Molecular Formula: C17H20F3N5O
• Molecular Weight: 367.38 g/mol
• Exact Mass: 367.16
• IUPAC Name: 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide
• SMILES: CN(C)c1cc(C(=O)N[C@@H]2CCCc3cn(CC(F)(F)F)nc32)ccn1
• InChI: InChI=1S/C17H20F3N5O/c1-24(2)14-8-11(6-7-21-14)16(26)22-13-5-3-4-12-9-25(23-15(12)13)10-17(18,19)20/h6-9,13H,3-5,10H2,1-2H3,(H,22,26)/t13-/m1/s1
• InChIKey: QKAHHSUJKGLWAZ-CYBMUJFWSA-N
• XLogP: 2.71
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.38
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide?

The IUPAC name of 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide (CID 97346977) is 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide is CN(C)c1cc(C(=O)N[C@@H]2CCCc3cn(CC(F)(F)F)nc32)ccn1.

What is the InChIKey of 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide?

The InChIKey is QKAHHSUJKGLWAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-24(2)14-8-11(6-7-21-14)16(26)22-13-5-3-4-12-9-25(23-15(12)13)10-17(18,19)20/h6-9,13H,3-5,10H2,1-2H3,(H,22,26)/t13-/m1/s1.

What are the key properties of 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide?

2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97346977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).