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

C16H11ClF3N5 — CID 134450163

IUPAC8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCc1ncn2cc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H11ClF3N5/c1-2-11-13(8-3-9-5-22-24-14(9)10(17)4-8)15-23-12(16(18,19)20)6-25(15)7-21-11/h3-7H,2H2,1H3,(H,22,24)
InChIKeyXTTXMXSAKWBAPC-UHFFFAOYSA-N
MW365.75 g/mol
LogP4.51
Rot. Bonds2

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

8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 134450163) has the molecular formula C16H11ClF3N5 and a molecular weight of 365.75 g/mol. Its IUPAC name is 8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID134450163
Molecular FormulaC16H11ClF3N5
Molecular Weight365.75 g/mol
Exact Mass365.07
IUPAC Name8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCc1ncn2cc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H11ClF3N5/c1-2-11-13(8-3-9-5-22-24-14(9)10(17)4-8)15-23-12(16(18,19)20)6-25(15)7-21-11/h3-7H,2H2,1H3,(H,22,24)
InChIKeyXTTXMXSAKWBAPC-UHFFFAOYSA-N
XLogP4.51
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 134450163) is 8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CCc1ncn2cc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is XTTXMXSAKWBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5/c1-2-11-13(8-3-9-5-22-24-14(9)10(17)4-8)15-23-12(16(18,19)20)6-25(15)7-21-11/h3-7H,2H2,1H3,(H,22,24).
What are the key properties of 8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
8-(7-chloro-1H-indazol-5-yl)-7-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 365.75 g/mol, XLogP of 4.51, 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-ethyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 134450163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).