2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C34H31F3N4O2 — CID 122188604

IUPAC2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1nn2ccc(-c3ccccc3)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C34H31F3N4O2/c1-23-32(31-21-28(17-20-41(31)39-23)25-5-3-2-4-6-25)33(42)38-22-24-7-11-29(12-8-24)40-18-15-27(16-19-40)26-9-13-30(14-10-26)43-34(35,36)37/h2-14,17,20-21,27H,15-16,18-19,22H2,1H3,(H,38,42)
InChIKeyUJCOSSAKIUTVGY-UHFFFAOYSA-N
MW584.64 g/mol
LogP7.52
Rot. Bonds7

About 2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 122188604) has the molecular formula C34H31F3N4O2 and a molecular weight of 584.64 g/mol. Its IUPAC name is 2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID122188604
Molecular FormulaC34H31F3N4O2
Molecular Weight584.64 g/mol
Exact Mass584.24
IUPAC Name2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1nn2ccc(-c3ccccc3)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C34H31F3N4O2/c1-23-32(31-21-28(17-20-41(31)39-23)25-5-3-2-4-6-25)33(42)38-22-24-7-11-29(12-8-24)40-18-15-27(16-19-40)26-9-13-30(14-10-26)43-34(35,36)37/h2-14,17,20-21,27H,15-16,18-19,22H2,1H3,(H,38,42)
InChIKeyUJCOSSAKIUTVGY-UHFFFAOYSA-N
XLogP7.52
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.64
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 122188604) is 2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1nn2ccc(-c3ccccc3)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is UJCOSSAKIUTVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F3N4O2/c1-23-32(31-21-28(17-20-41(31)39-23)25-5-3-2-4-6-25)33(42)38-22-24-7-11-29(12-8-24)40-18-15-27(16-19-40)26-9-13-30(14-10-26)43-34(35,36)37/h2-14,17,20-21,27H,15-16,18-19,22H2,1H3,(H,38,42).
What are the key properties of 2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 584.64 g/mol, XLogP of 7.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 122188604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).