2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C17H17F3N4O3S — CID 142468724

IUPAC2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCS(=O)(=O)c1cc(OC(C)C)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H17F3N4O3S/c1-4-28(25,26)13-5-11(27-10(2)3)7-21-16(13)12-8-24-9-22-14(17(18,19)20)6-15(24)23-12/h5-10H,4H2,1-3H3
InChIKeyPYWNSPICLPQIPG-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.39
Rot. Bonds5

About 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 142468724) has the molecular formula C17H17F3N4O3S and a molecular weight of 414.41 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID142468724
Molecular FormulaC17H17F3N4O3S
Molecular Weight414.41 g/mol
Exact Mass414.10
IUPAC Name2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCS(=O)(=O)c1cc(OC(C)C)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H17F3N4O3S/c1-4-28(25,26)13-5-11(27-10(2)3)7-21-16(13)12-8-24-9-22-14(17(18,19)20)6-15(24)23-12/h5-10H,4H2,1-3H3
InChIKeyPYWNSPICLPQIPG-UHFFFAOYSA-N
XLogP3.39
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-(3-(Ethylsulfonyl)phenoxy)phenyl)-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44137367
3-(3-(3-(Isopropylsulfonyl)phenoxy)phenyl)-2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 46226318
3-{3-[3-(Methylsulfonyl)phenoxy]phenyl}-2-(piperidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 46877576
US10059713, Example 162
CID 129187085
2-[2-Methyl-8-[(4-methylsulfonylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 44382551
2-Methyl-3-(methylsulfonylmethyl)-8-phenylmethoxyimidazo[1,2-a]pyridine
CID 44382637
2-Methyl-3-(methylsulfinylmethyl)-8-phenylmethoxyimidazo[1,2-a]pyridine
CID 44382678
US20250346593, Example 302
CID 170434806
US20250346593, Example 313
CID 170434993
US20250346593, Example 334
CID 176301623
US20250346593, Example 113
CID 177773305
US20250346593, Example 74
CID 177773329

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 142468724) is 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CCS(=O)(=O)c1cc(OC(C)C)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is PYWNSPICLPQIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3S/c1-4-28(25,26)13-5-11(27-10(2)3)7-21-16(13)12-8-24-9-22-14(17(18,19)20)6-15(24)23-12/h5-10H,4H2,1-3H3.
What are the key properties of 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 414.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-5-propan-2-yloxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 142468724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).