6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide

C34H37FN6O3S — CID 176624145

IUPAC6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
SMILESCO[C@@H]1CCCN(c2nccc3cc(-c4c(C(N)=O)c(CC(C)C)nc(CCc5ccc(F)cc5)c4-c4nnc(C)o4)sc23)C1
InChIInChI=1S/C34H37FN6O3S/c1-19(2)16-26-28(32(36)42)30(27-17-22-13-14-37-33(31(22)45-27)41-15-5-6-24(18-41)43-4)29(34-40-39-20(3)44-34)25(38-26)12-9-21-7-10-23(35)11-8-21/h7-8,10-11,13-14,17,19,24H,5-6,9,12,15-16,18H2,1-4H3,(H2,36,42)/t24-/m1/s1
InChIKeyDVUPGGWXCWMXAA-XMMPIXPASA-N
MW628.77 g/mol
LogP6.55
Rot. Bonds10

About 6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide

6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 176624145) has the molecular formula C34H37FN6O3S and a molecular weight of 628.77 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID176624145
Molecular FormulaC34H37FN6O3S
Molecular Weight628.77 g/mol
Exact Mass628.26
IUPAC Name6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide
SMILESCO[C@@H]1CCCN(c2nccc3cc(-c4c(C(N)=O)c(CC(C)C)nc(CCc5ccc(F)cc5)c4-c4nnc(C)o4)sc23)C1
InChIInChI=1S/C34H37FN6O3S/c1-19(2)16-26-28(32(36)42)30(27-17-22-13-14-37-33(31(22)45-27)41-15-5-6-24(18-41)43-4)29(34-40-39-20(3)44-34)25(38-26)12-9-21-7-10-23(35)11-8-21/h7-8,10-11,13-14,17,19,24H,5-6,9,12,15-16,18H2,1-4H3,(H2,36,42)/t24-/m1/s1
InChIKeyDVUPGGWXCWMXAA-XMMPIXPASA-N
XLogP6.55
TPSA120.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.77
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide (CID 176624145) is 6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide is CO[C@@H]1CCCN(c2nccc3cc(-c4c(C(N)=O)c(CC(C)C)nc(CCc5ccc(F)cc5)c4-c4nnc(C)o4)sc23)C1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is DVUPGGWXCWMXAA-XMMPIXPASA-N. The full InChI is InChI=1S/C34H37FN6O3S/c1-19(2)16-26-28(32(36)42)30(27-17-22-13-14-37-33(31(22)45-27)41-15-5-6-24(18-41)43-4)29(34-40-39-20(3)44-34)25(38-26)12-9-21-7-10-23(35)11-8-21/h7-8,10-11,13-14,17,19,24H,5-6,9,12,15-16,18H2,1-4H3,(H2,36,42)/t24-/m1/s1.
What are the key properties of 6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide?
6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 628.77 g/mol, XLogP of 6.55, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethyl]-4-[7-[(3R)-3-methoxypiperidin-1-yl]thieno[2,3-c]pyridin-2-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 176624145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).