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

C38H37F6N11O3S2 — CID 142305152

IUPACethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCC.CCS(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2ccc(C)cc12.CCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2cc(C(N)=O)ccc12
InChIInChI=1S/C18H15F3N6O2S.C18H16F3N5OS.C2H6/c1-3-30(29)15-11-5-4-9(16(22)28)8-27(11)25-14(15)17-24-10-6-13(18(19,20)21)23-7-12(10)26(17)2;1-4-28(27)15-13-7-10(2)5-6-26(13)24-14(15)17-23-12-8-11(18(19,20)21)9-22-16(12)25(17)3;1-2/h4-8H,3H2,1-2H3,(H2,22,28);5-9H,4H2,1-3H3;1-2H3
InChIKeyNXOAEEIYRHXYPA-UHFFFAOYSA-N
MW873.91 g/mol
LogP7.29
Rot. Bonds7

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

ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 142305152) has the molecular formula C38H37F6N11O3S2 and a molecular weight of 873.91 g/mol. Its IUPAC name is ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Nameethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID142305152
Molecular FormulaC38H37F6N11O3S2
Molecular Weight873.91 g/mol
Exact Mass873.24
IUPAC Nameethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCC.CCS(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2ccc(C)cc12.CCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2cc(C(N)=O)ccc12
InChIInChI=1S/C18H15F3N6O2S.C18H16F3N5OS.C2H6/c1-3-30(29)15-11-5-4-9(16(22)28)8-27(11)25-14(15)17-24-10-6-13(18(19,20)21)23-7-12(10)26(17)2;1-4-28(27)15-13-7-10(2)5-6-26(13)24-14(15)17-23-12-8-11(18(19,20)21)9-22-16(12)25(17)3;1-2/h4-8H,3H2,1-2H3,(H2,22,28);5-9H,4H2,1-3H3;1-2H3
InChIKeyNXOAEEIYRHXYPA-UHFFFAOYSA-N
XLogP7.29
TPSA173.25 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.91
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-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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Related Compounds

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CID 90323826
8-[[4-(1-Methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
CID 122609219
US10336761, Example 179
CID 126499640
US10336761, Example 168
CID 135262180
US10336761, Example 167
CID 135262325
US12473304, Example 270
CID 156829349
US12473304, Example 268
CID 156829475
4-[8-amino-3-[4-[(1-methylpyrazol-4-yl)methyl]-1,1-dioxo-1,4-thiazinan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 71226613
4-[8-amino-3-[1,1-dihydroxy-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 90311933
2-[(2-Methylpyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[5-(2,2,2-trifluoroethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118168301
3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
CID 118278222
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

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (CID 142305152) is ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-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 ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is CC.CCS(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2ccc(C)cc12.CCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2cc(C(N)=O)ccc12.
What is the InChIKey of ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is NXOAEEIYRHXYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2S.C18H16F3N5OS.C2H6/c1-3-30(29)15-11-5-4-9(16(22)28)8-27(11)25-14(15)17-24-10-6-13(18(19,20)21)23-7-12(10)26(17)2;1-4-28(27)15-13-7-10(2)5-6-26(13)24-14(15)17-23-12-8-11(18(19,20)21)9-22-16(12)25(17)3;1-2/h4-8H,3H2,1-2H3,(H2,22,28);5-9H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 873.91 g/mol, XLogP of 7.29, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-ethylsulfinyl-5-methylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-ethylsulfinyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 142305152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).