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

C28H27N7O2S — CID 138585195

IUPACN-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccs4)C4CCN(Cc5ccccn5)CC4)n3)c2)o1
InChIInChI=1S/C28H27N7O2S/c1-20-30-31-27(37-20)21-6-4-8-24(18-21)34-16-12-26(32-34)35(28(36)25-9-5-17-38-25)23-10-14-33(15-11-23)19-22-7-2-3-13-29-22/h2-9,12-13,16-18,23H,10-11,14-15,19H2,1H3
InChIKeyDMGZJIZQYPBJRJ-UHFFFAOYSA-N
MW525.64 g/mol
LogP5.00
Rot. Bonds7

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

N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 138585195) has the molecular formula C28H27N7O2S and a molecular weight of 525.64 g/mol. Its IUPAC name is N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID138585195
Molecular FormulaC28H27N7O2S
Molecular Weight525.64 g/mol
Exact Mass525.19
IUPAC NameN-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccs4)C4CCN(Cc5ccccn5)CC4)n3)c2)o1
InChIInChI=1S/C28H27N7O2S/c1-20-30-31-27(37-20)21-6-4-8-24(18-21)34-16-12-26(32-34)35(28(36)25-9-5-17-38-25)23-10-14-33(15-11-23)19-22-7-2-3-13-29-22/h2-9,12-13,16-18,23H,10-11,14-15,19H2,1H3
InChIKeyDMGZJIZQYPBJRJ-UHFFFAOYSA-N
XLogP5.00
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.64
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide with MolForge

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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-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (CID 138585195) is N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is Cc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccs4)C4CCN(Cc5ccccn5)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-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is DMGZJIZQYPBJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2S/c1-20-30-31-27(37-20)21-6-4-8-24(18-21)34-16-12-26(32-34)35(28(36)25-9-5-17-38-25)23-10-14-33(15-11-23)19-22-7-2-3-13-29-22/h2-9,12-13,16-18,23H,10-11,14-15,19H2,1H3.
What are the key properties of N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 525.64 g/mol, XLogP of 5.00, 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-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 138585195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).