8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C17H13ClF3N5 — CID 134450184

IUPAC8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCC(C)c1ncn2cc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C17H13ClF3N5/c1-8(2)14-13(9-3-10-5-23-25-15(10)11(18)4-9)16-24-12(17(19,20)21)6-26(16)7-22-14/h3-8H,1-2H3,(H,23,25)
InChIKeyFFPHRXURPVVSGG-UHFFFAOYSA-N
MW379.77 g/mol
LogP5.07
Rot. Bonds2

About 8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine

8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 134450184) has the molecular formula C17H13ClF3N5 and a molecular weight of 379.77 g/mol. Its IUPAC name is 8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID134450184
Molecular FormulaC17H13ClF3N5
Molecular Weight379.77 g/mol
Exact Mass379.08
IUPAC Name8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCC(C)c1ncn2cc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C17H13ClF3N5/c1-8(2)14-13(9-3-10-5-23-25-15(10)11(18)4-9)16-24-12(17(19,20)21)6-26(16)7-22-14/h3-8H,1-2H3,(H,23,25)
InChIKeyFFPHRXURPVVSGG-UHFFFAOYSA-N
XLogP5.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.77
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
6-chloro-N-(cyclopropylmethyl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
CID 137333978
(4-Chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 23388879
2-(1h-Indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidine
CID 25164883
2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imidazol-1-yl)-N,N-dimethylethanamine
CID 25165279
n-Cyclohexyl-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167072
2-(1h-Indazol-5-yl)-n-isopropylimidazo[1,2-a]pyrimidin-3-amine
CID 25167074
n-Butyl-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167277
n-(4-Chlorophenyl)-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167278
2-(1h-Indazol-5-yl)imidazo[1,2-a]pyrimidine
CID 25167280
8-chloro-7-(7-chloro-1H-indol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo(1,2-a)pyridine
CID 58081135

Frequently Asked Questions

What is the IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 134450184) is 8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CC(C)c1ncn2cc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is FFPHRXURPVVSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5/c1-8(2)14-13(9-3-10-5-23-25-15(10)11(18)4-9)16-24-12(17(19,20)21)6-26(16)7-22-14/h3-8H,1-2H3,(H,23,25).
What are the key properties of 8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 379.77 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-chloro-1H-indazol-5-yl)-7-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 134450184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).