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

C18H14ClF2N5 — CID 134450170

IUPAC8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine
SMILESCc1nc(C2CC2)c(-c2cc(Cl)c3[nH]ncc3c2)c2nc(C(F)F)cn12
InChIInChI=1S/C18H14ClF2N5/c1-8-23-16(9-2-3-9)14(18-24-13(17(20)21)7-26(8)18)10-4-11-6-22-25-15(11)12(19)5-10/h4-7,9,17H,2-3H2,1H3,(H,22,25)
InChIKeyJSBWRTNBGLRLCE-UHFFFAOYSA-N
MW373.79 g/mol
LogP5.05
Rot. Bonds3

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

8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine (PubChem CID 134450170) has the molecular formula C18H14ClF2N5 and a molecular weight of 373.79 g/mol. Its IUPAC name is 8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine
PubChem CID134450170
Molecular FormulaC18H14ClF2N5
Molecular Weight373.79 g/mol
Exact Mass373.09
IUPAC Name8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine
SMILESCc1nc(C2CC2)c(-c2cc(Cl)c3[nH]ncc3c2)c2nc(C(F)F)cn12
InChIInChI=1S/C18H14ClF2N5/c1-8-23-16(9-2-3-9)14(18-24-13(17(20)21)7-26(8)18)10-4-11-6-22-25-15(11)12(19)5-10/h4-7,9,17H,2-3H2,1H3,(H,22,25)
InChIKeyJSBWRTNBGLRLCE-UHFFFAOYSA-N
XLogP5.05
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.79
LogP ≤ 55.05
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-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine?
The IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine (CID 134450170) is 8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine?
The canonical SMILES for 8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine is Cc1nc(C2CC2)c(-c2cc(Cl)c3[nH]ncc3c2)c2nc(C(F)F)cn12.
What is the InChIKey of 8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine?
The InChIKey is JSBWRTNBGLRLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N5/c1-8-23-16(9-2-3-9)14(18-24-13(17(20)21)7-26(8)18)10-4-11-6-22-25-15(11)12(19)5-10/h4-7,9,17H,2-3H2,1H3,(H,22,25).
What are the key properties of 8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine?
8-(7-chloro-1H-indazol-5-yl)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine has a molecular weight of 373.79 g/mol, XLogP of 5.05, 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)-7-cyclopropyl-2-(difluoromethyl)-5-methylimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 134450170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).