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

C36H29F6N11O5S2 — CID 134365736

IUPAC3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2CCCS(=O)(=O)c2c(-c3nc4cc(C(F)(F)F)ncc4n3C)nn3cc(C(N)=O)ccc23)nn2ccc(C)cc12
InChIInChI=1S/C36H29F6N11O5S2/c1-4-59(55,56)30-24-12-18(2)8-10-52(24)48-28(30)34-47-22-13-20(35(37,38)39)15-45-32(22)51(34)9-5-11-60(57,58)29-23-7-6-19(31(43)54)17-53(23)49-27(29)33-46-21-14-26(36(40,41)42)44-16-25(21)50(33)3/h6-8,10,12-17H,4-5,9,11H2,1-3H3,(H2,43,54)
InChIKeyKQDFIFSRFVJKGJ-UHFFFAOYSA-N
MW873.82 g/mol
LogP5.44
Rot. Bonds10

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

3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 134365736) has the molecular formula C36H29F6N11O5S2 and a molecular weight of 873.82 g/mol. Its IUPAC name is 3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID134365736
Molecular FormulaC36H29F6N11O5S2
Molecular Weight873.82 g/mol
Exact Mass873.17
IUPAC Name3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2CCCS(=O)(=O)c2c(-c3nc4cc(C(F)(F)F)ncc4n3C)nn3cc(C(N)=O)ccc23)nn2ccc(C)cc12
InChIInChI=1S/C36H29F6N11O5S2/c1-4-59(55,56)30-24-12-18(2)8-10-52(24)48-28(30)34-47-22-13-20(35(37,38)39)15-45-32(22)51(34)9-5-11-60(57,58)29-23-7-6-19(31(43)54)17-53(23)49-27(29)33-46-21-14-26(36(40,41)42)44-16-25(21)50(33)3/h6-8,10,12-17H,4-5,9,11H2,1-3H3,(H2,43,54)
InChIKeyKQDFIFSRFVJKGJ-UHFFFAOYSA-N
XLogP5.44
TPSA207.39 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.82
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (CID 134365736) is 3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2CCCS(=O)(=O)c2c(-c3nc4cc(C(F)(F)F)ncc4n3C)nn3cc(C(N)=O)ccc23)nn2ccc(C)cc12.
What is the InChIKey of 3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is KQDFIFSRFVJKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29F6N11O5S2/c1-4-59(55,56)30-24-12-18(2)8-10-52(24)48-28(30)34-47-22-13-20(35(37,38)39)15-45-32(22)51(34)9-5-11-60(57,58)29-23-7-6-19(31(43)54)17-53(23)49-27(29)33-46-21-14-26(36(40,41)42)44-16-25(21)50(33)3/h6-8,10,12-17H,4-5,9,11H2,1-3H3,(H2,43,54).
What are the key properties of 3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 873.82 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3-ethylsulfonyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propylsulfonyl]-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 134365736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).