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

C17H14ClF2N5 — CID 134450162

IUPAC8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine
SMILESCC(C)c1ncn2cc(C(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C17H14ClF2N5/c1-8(2)14-13(9-3-10-5-22-24-15(10)11(18)4-9)17-23-12(16(19)20)6-25(17)7-21-14/h3-8,16H,1-2H3,(H,22,24)
InChIKeyYZZCVOQEIYHQSP-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.99
Rot. Bonds3

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

8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine (PubChem CID 134450162) has the molecular formula C17H14ClF2N5 and a molecular weight of 361.78 g/mol. Its IUPAC name is 8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine
PubChem CID134450162
Molecular FormulaC17H14ClF2N5
Molecular Weight361.78 g/mol
Exact Mass361.09
IUPAC Name8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine
SMILESCC(C)c1ncn2cc(C(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C17H14ClF2N5/c1-8(2)14-13(9-3-10-5-22-24-15(10)11(18)4-9)17-23-12(16(19)20)6-25(17)7-21-14/h3-8,16H,1-2H3,(H,22,24)
InChIKeyYZZCVOQEIYHQSP-UHFFFAOYSA-N
XLogP4.99
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.99
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)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine?
The IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine (CID 134450162) is 8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine?
The canonical SMILES for 8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine is CC(C)c1ncn2cc(C(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine?
The InChIKey is YZZCVOQEIYHQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5/c1-8(2)14-13(9-3-10-5-22-24-15(10)11(18)4-9)17-23-12(16(19)20)6-25(17)7-21-14/h3-8,16H,1-2H3,(H,22,24).
What are the key properties of 8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine?
8-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine has a molecular weight of 361.78 g/mol, XLogP of 4.99, 3 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)-2-(difluoromethyl)-7-propan-2-ylimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 134450162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).