N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide

C23H17F6N5O — CID 54582297

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccccc2)cc2nnnn12
InChIInChI=1S/C23H17F6N5O/c1-13-20(18(15-6-4-3-5-7-15)11-19-30-31-32-34(13)19)21(35)33(2)12-14-8-16(22(24,25)26)10-17(9-14)23(27,28)29/h3-11H,12H2,1-2H3
InChIKeyXXJGPEJPJHNGJF-UHFFFAOYSA-N
MW493.41 g/mol
LogP5.41
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 54582297) has the molecular formula C23H17F6N5O and a molecular weight of 493.41 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID54582297
Molecular FormulaC23H17F6N5O
Molecular Weight493.41 g/mol
Exact Mass493.13
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccccc2)cc2nnnn12
InChIInChI=1S/C23H17F6N5O/c1-13-20(18(15-6-4-3-5-7-15)11-19-30-31-32-34(13)19)21(35)33(2)12-14-8-16(22(24,25)26)10-17(9-14)23(27,28)29/h3-11H,12H2,1-2H3
InChIKeyXXJGPEJPJHNGJF-UHFFFAOYSA-N
XLogP5.41
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.41
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide (CID 54582297) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide is Cc1c(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccccc2)cc2nnnn12.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is XXJGPEJPJHNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N5O/c1-13-20(18(15-6-4-3-5-7-15)11-19-30-31-32-34(13)19)21(35)33(2)12-14-8-16(22(24,25)26)10-17(9-14)23(27,28)29/h3-11H,12H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 493.41 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 54582297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).