[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine

C14H12F3N5O2S — CID 160888396

IUPAC[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine
SMILESCn1c(-c2ncccc2S(=O)(=O)CN)nc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C14H12F3N5O2S/c1-22-9-6-20-11(14(15,16)17)5-8(9)21-13(22)12-10(3-2-4-19-12)25(23,24)7-18/h2-6H,7,18H2,1H3
InChIKeySNYCPJUQJLGSIB-UHFFFAOYSA-N
MW371.34 g/mol
LogP1.74
Rot. Bonds3

About [2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine

[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine (PubChem CID 160888396) has the molecular formula C14H12F3N5O2S and a molecular weight of 371.34 g/mol. Its IUPAC name is [2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine.

Molecular Properties

Compound Name[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine
PubChem CID160888396
Molecular FormulaC14H12F3N5O2S
Molecular Weight371.34 g/mol
Exact Mass371.07
IUPAC Name[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine
SMILESCn1c(-c2ncccc2S(=O)(=O)CN)nc2cc(C(F)(F)F)ncc21
InChIInChI=1S/C14H12F3N5O2S/c1-22-9-6-20-11(14(15,16)17)5-8(9)21-13(22)12-10(3-2-4-19-12)25(23,24)7-18/h2-6H,7,18H2,1H3
InChIKeySNYCPJUQJLGSIB-UHFFFAOYSA-N
XLogP1.74
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 142621016
5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole
CID 90275847
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430733
2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 134365728
2-[5-(2,2-difluorocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118892619
2-ethyl-2-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]butanenitrile
CID 142414423
2-[5-(6-chloro-5-methyl-3-pyridinyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438487
2-[5-(2,2-difluoropropoxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 150988323
2-[5-ethylsulfonyl-1-methyl-2-(1-methylpyrrol-2-yl)imidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235352
N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide
CID 142621010

Frequently Asked Questions

What is the IUPAC name of [2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine?
The IUPAC name of [2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine (CID 160888396) is [2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine.
What is the SMILES notation for [2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine?
The canonical SMILES for [2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine is Cn1c(-c2ncccc2S(=O)(=O)CN)nc2cc(C(F)(F)F)ncc21.
What is the InChIKey of [2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine?
The InChIKey is SNYCPJUQJLGSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2S/c1-22-9-6-20-11(14(15,16)17)5-8(9)21-13(22)12-10(3-2-4-19-12)25(23,24)7-18/h2-6H,7,18H2,1H3.
What are the key properties of [2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine?
[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine has a molecular weight of 371.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine is sourced from PubChem (CID 160888396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).