CID 146268991

C18H17F3N5OS- — CID 146268991

IUPAC—
SMILESCC/N=[S-](=O)/c1cc(C2CC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H17F3N5OS/c1-3-24-28(27)14-6-11(10-4-5-10)8-23-16(14)17-25-12-7-15(18(19,20)21)22-9-13(12)26(17)2/h6-10H,3-5H2,1-2H3/q-1
InChIKeyOXHWROOHRCEOMR-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.45
Rot. Bonds4

About CID 146268991

CID 146268991 (PubChem CID 146268991) has the molecular formula C18H17F3N5OS- and a molecular weight of 408.43 g/mol.

Molecular Properties

Compound NameCID 146268991
PubChem CID146268991
Molecular FormulaC18H17F3N5OS-
Molecular Weight408.43 g/mol
Exact Mass408.11
IUPAC Name—
SMILESCC/N=[S-](=O)/c1cc(C2CC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H17F3N5OS/c1-3-24-28(27)14-6-11(10-4-5-10)8-23-16(14)17-25-12-7-15(18(19,20)21)22-9-13(12)26(17)2/h6-10H,3-5H2,1-2H3/q-1
InChIKeyOXHWROOHRCEOMR-UHFFFAOYSA-N
XLogP4.45
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

CID 146269013
CID 146269013
2-[5-(2,2-difluorocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118892619
2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 166141337
2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430797
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine
CID 163697092
cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane
CID 146208759
2-[3-ethylsulfinyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430784
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
[5-cyclopropyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-ethyl-imino-oxo-λ6-sulfane
CID 168736520
2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 167209269
6-cyclopropyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
CID 118973507
N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
CID 177235986

Frequently Asked Questions

What is the IUPAC name of CID 146268991?
The IUPAC name of CID 146268991 (CID 146268991) is not available.
What is the SMILES notation for CID 146268991?
The canonical SMILES for CID 146268991 is CC/N=[S-](=O)/c1cc(C2CC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of CID 146268991?
The InChIKey is OXHWROOHRCEOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N5OS/c1-3-24-28(27)14-6-11(10-4-5-10)8-23-16(14)17-25-12-7-15(18(19,20)21)22-9-13(12)26(17)2/h6-10H,3-5H2,1-2H3/q-1.
What are the key properties of CID 146268991?
CID 146268991 has a molecular weight of 408.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146268991 is sourced from PubChem (CID 146268991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).