(7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine

C16H21F3N4S — CID 97346769

IUPAC(7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESCC(C)c1ncc(CN[C@@H]2CCCc3cn(CC(F)(F)F)nc32)s1
InChIInChI=1S/C16H21F3N4S/c1-10(2)15-21-7-12(24-15)6-20-13-5-3-4-11-8-23(22-14(11)13)9-16(17,18)19/h7-8,10,13,20H,3-6,9H2,1-2H3/t13-/m1/s1
InChIKeyHZDOYLURBPONJZ-CYBMUJFWSA-N
MW358.43 g/mol
LogP4.19
Rot. Bonds5

About (7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine

(7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 97346769) has the molecular formula C16H21F3N4S and a molecular weight of 358.43 g/mol. Its IUPAC name is (7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound Name(7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID97346769
Molecular FormulaC16H21F3N4S
Molecular Weight358.43 g/mol
Exact Mass358.14
IUPAC Name(7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESCC(C)c1ncc(CN[C@@H]2CCCc3cn(CC(F)(F)F)nc32)s1
InChIInChI=1S/C16H21F3N4S/c1-10(2)15-21-7-12(24-15)6-20-13-5-3-4-11-8-23(22-14(11)13)9-16(17,18)19/h7-8,10,13,20H,3-6,9H2,1-2H3/t13-/m1/s1
InChIKeyHZDOYLURBPONJZ-CYBMUJFWSA-N
XLogP4.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of (7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine (CID 97346769) is (7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for (7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for (7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine is CC(C)c1ncc(CN[C@@H]2CCCc3cn(CC(F)(F)F)nc32)s1.
What is the InChIKey of (7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is HZDOYLURBPONJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21F3N4S/c1-10(2)15-21-7-12(24-15)6-20-13-5-3-4-11-8-23(22-14(11)13)9-16(17,18)19/h7-8,10,13,20H,3-6,9H2,1-2H3/t13-/m1/s1.
What are the key properties of (7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
(7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine has a molecular weight of 358.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 97346769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).