2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C18H16F3N5O2S — CID 134365932

IUPAC2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2ccc(C)cc12
InChIInChI=1S/C18H16F3N5O2S/c1-4-29(27,28)16-12-7-10(2)5-6-26(12)24-15(16)17-23-11-8-14(18(19,20)21)22-9-13(11)25(17)3/h5-9H,4H2,1-3H3
InChIKeyNSKNJVZXRMCIIB-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.40
Rot. Bonds3

About 2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 134365932) has the molecular formula C18H16F3N5O2S and a molecular weight of 423.42 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID134365932
Molecular FormulaC18H16F3N5O2S
Molecular Weight423.42 g/mol
Exact Mass423.10
IUPAC Name2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2ccc(C)cc12
InChIInChI=1S/C18H16F3N5O2S/c1-4-29(27,28)16-12-7-10(2)5-6-26(12)24-15(16)17-23-11-8-14(18(19,20)21)22-9-13(11)25(17)3/h5-9H,4H2,1-3H3
InChIKeyNSKNJVZXRMCIIB-UHFFFAOYSA-N
XLogP3.40
TPSA82.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 134365932) is 2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2ccc(C)cc12.
What is the InChIKey of 2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is NSKNJVZXRMCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2S/c1-4-29(27,28)16-12-7-10(2)5-6-26(12)24-15(16)17-23-11-8-14(18(19,20)21)22-9-13(11)25(17)3/h5-9H,4H2,1-3H3.
What are the key properties of 2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 423.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 134365932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).