2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide

C21H21F6N5O — CID 86653504

IUPAC2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(=O)NCCn3nc(C(F)(F)F)c4c3CCCC4)ccc(C(F)(F)F)n2c1C
InChIInChI=1S/C21H21F6N5O/c1-11-12(2)32-16(20(22,23)24)8-7-14(18(32)29-11)19(33)28-9-10-31-15-6-4-3-5-13(15)17(30-31)21(25,26)27/h7-8H,3-6,9-10H2,1-2H3,(H,28,33)
InChIKeyHXKKDJYGVDRLCQ-UHFFFAOYSA-N
MW473.42 g/mol
LogP4.49
Rot. Bonds4

About 2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide

2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 86653504) has the molecular formula C21H21F6N5O and a molecular weight of 473.42 g/mol. Its IUPAC name is 2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID86653504
Molecular FormulaC21H21F6N5O
Molecular Weight473.42 g/mol
Exact Mass473.17
IUPAC Name2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(=O)NCCn3nc(C(F)(F)F)c4c3CCCC4)ccc(C(F)(F)F)n2c1C
InChIInChI=1S/C21H21F6N5O/c1-11-12(2)32-16(20(22,23)24)8-7-14(18(32)29-11)19(33)28-9-10-31-15-6-4-3-5-13(15)17(30-31)21(25,26)27/h7-8H,3-6,9-10H2,1-2H3,(H,28,33)
InChIKeyHXKKDJYGVDRLCQ-UHFFFAOYSA-N
XLogP4.49
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614857
4-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614856
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614839
2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614840
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614831
2-propyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pentanamide
CID 90614777
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 90614801
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
CID 72718569
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16677485
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide
CID 90615544
1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 90614898
1-methylsulfonyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]piperidine-4-carboxamide
CID 90614885

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 86653504) is 2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide is Cc1nc2c(C(=O)NCCn3nc(C(F)(F)F)c4c3CCCC4)ccc(C(F)(F)F)n2c1C.
What is the InChIKey of 2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is HXKKDJYGVDRLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F6N5O/c1-11-12(2)32-16(20(22,23)24)8-7-14(18(32)29-11)19(33)28-9-10-31-15-6-4-3-5-13(15)17(30-31)21(25,26)27/h7-8H,3-6,9-10H2,1-2H3,(H,28,33).
What are the key properties of 2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide?
2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 473.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 86653504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).