N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C23H24N6O2S — CID 138585055

IUPACN-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccs4)C4CCN(C)CC4)n3)c2)o1
InChIInChI=1S/C23H24N6O2S/c1-16-24-25-22(31-16)17-5-3-6-19(15-17)28-13-10-21(26-28)29(18-8-11-27(2)12-9-18)23(30)20-7-4-14-32-20/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3
InChIKeyDHFJNTIKYWMGTR-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.03
Rot. Bonds5

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

N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 138585055) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-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-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID138585055
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC NameN-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccs4)C4CCN(C)CC4)n3)c2)o1
InChIInChI=1S/C23H24N6O2S/c1-16-24-25-22(31-16)17-5-3-6-19(15-17)28-13-10-21(26-28)29(18-8-11-27(2)12-9-18)23(30)20-7-4-14-32-20/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3
InChIKeyDHFJNTIKYWMGTR-UHFFFAOYSA-N
XLogP4.03
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-methylpiperidin-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-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 138585055) is N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-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-methylpiperidin-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-methylpiperidin-4-yl)thiophene-2-carboxamide is Cc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccs4)C4CCN(C)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-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is DHFJNTIKYWMGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-16-24-25-22(31-16)17-5-3-6-19(15-17)28-13-10-21(26-28)29(18-8-11-27(2)12-9-18)23(30)20-7-4-14-32-20/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3.
What are the key properties of N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 138585055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).