N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide

C29H26F3N7O2S — CID 138605727

IUPACN-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccs4)C4CCN(Cc5cccc(C(F)(F)F)n5)CC4)n3)c2)o1
InChIInChI=1S/C29H26F3N7O2S/c1-19-34-35-27(41-19)20-5-2-7-23(17-20)38-15-12-26(36-38)39(28(40)24-8-4-16-42-24)22-10-13-37(14-11-22)18-21-6-3-9-25(33-21)29(30,31)32/h2-9,12,15-17,22H,10-11,13-14,18H2,1H3
InChIKeyUYFQCEKOYQPFBF-UHFFFAOYSA-N
MW593.64 g/mol
LogP6.02
Rot. Bonds7

About N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 138605727) has the molecular formula C29H26F3N7O2S and a molecular weight of 593.64 g/mol. Its IUPAC name is N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID138605727
Molecular FormulaC29H26F3N7O2S
Molecular Weight593.64 g/mol
Exact Mass593.18
IUPAC NameN-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccs4)C4CCN(Cc5cccc(C(F)(F)F)n5)CC4)n3)c2)o1
InChIInChI=1S/C29H26F3N7O2S/c1-19-34-35-27(41-19)20-5-2-7-23(17-20)38-15-12-26(36-38)39(28(40)24-8-4-16-42-24)22-10-13-37(14-11-22)18-21-6-3-9-25(33-21)29(30,31)32/h2-9,12,15-17,22H,10-11,13-14,18H2,1H3
InChIKeyUYFQCEKOYQPFBF-UHFFFAOYSA-N
XLogP6.02
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.64
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide (CID 138605727) is N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide is Cc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccs4)C4CCN(Cc5cccc(C(F)(F)F)n5)CC4)n3)c2)o1.
What is the InChIKey of N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is UYFQCEKOYQPFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N7O2S/c1-19-34-35-27(41-19)20-5-2-7-23(17-20)38-15-12-26(36-38)39(28(40)24-8-4-16-42-24)22-10-13-37(14-11-22)18-21-6-3-9-25(33-21)29(30,31)32/h2-9,12,15-17,22H,10-11,13-14,18H2,1H3.
What are the key properties of N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 593.64 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 138605727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).