7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine

C14H17ClF2N4O2S — CID 86710139

IUPAC7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine
SMILESCC(C)c1nc2cc(Cl)ncn2c1S(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H17ClF2N4O2S/c1-9(2)12-13(21-8-18-10(15)7-11(21)19-12)24(22,23)20-5-3-14(16,17)4-6-20/h7-9H,3-6H2,1-2H3
InChIKeyGGJCQICOKCBCMF-UHFFFAOYSA-N
MW378.83 g/mol
LogP2.93
Rot. Bonds3

About 7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine

7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine (PubChem CID 86710139) has the molecular formula C14H17ClF2N4O2S and a molecular weight of 378.83 g/mol. Its IUPAC name is 7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine
PubChem CID86710139
Molecular FormulaC14H17ClF2N4O2S
Molecular Weight378.83 g/mol
Exact Mass378.07
IUPAC Name7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine
SMILESCC(C)c1nc2cc(Cl)ncn2c1S(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H17ClF2N4O2S/c1-9(2)12-13(21-8-18-10(15)7-11(21)19-12)24(22,23)20-5-3-14(16,17)4-6-20/h7-9H,3-6H2,1-2H3
InChIKeyGGJCQICOKCBCMF-UHFFFAOYSA-N
XLogP2.93
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine (CID 86710139) is 7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine is CC(C)c1nc2cc(Cl)ncn2c1S(=O)(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine?
The InChIKey is GGJCQICOKCBCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N4O2S/c1-9(2)12-13(21-8-18-10(15)7-11(21)19-12)24(22,23)20-5-3-14(16,17)4-6-20/h7-9H,3-6H2,1-2H3.
What are the key properties of 7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine?
7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine has a molecular weight of 378.83 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4,4-difluoropiperidin-1-yl)sulfonyl-2-propan-2-ylimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 86710139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).