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

C29H29F3N4O2 — CID 122188593

IUPAC2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c2c1
InChIInChI=1S/C29H29F3N4O2/c1-19-11-16-36-26(17-19)27(20(2)34-36)28(37)33-18-21-3-7-24(8-4-21)35-14-12-23(13-15-35)22-5-9-25(10-6-22)38-29(30,31)32/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,33,37)
InChIKeyVPPPLAKILVBFMD-UHFFFAOYSA-N
MW522.57 g/mol
LogP6.16
Rot. Bonds6

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

2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 122188593) has the molecular formula C29H29F3N4O2 and a molecular weight of 522.57 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID122188593
Molecular FormulaC29H29F3N4O2
Molecular Weight522.57 g/mol
Exact Mass522.22
IUPAC Name2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c2c1
InChIInChI=1S/C29H29F3N4O2/c1-19-11-16-36-26(17-19)27(20(2)34-36)28(37)33-18-21-3-7-24(8-4-21)35-14-12-23(13-15-35)22-5-9-25(10-6-22)38-29(30,31)32/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,33,37)
InChIKeyVPPPLAKILVBFMD-UHFFFAOYSA-N
XLogP6.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 56.16
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 2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 122188593) is 2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c2c1.
What is the InChIKey of 2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VPPPLAKILVBFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O2/c1-19-11-16-36-26(17-19)27(20(2)34-36)28(37)33-18-21-3-7-24(8-4-21)35-14-12-23(13-15-35)22-5-9-25(10-6-22)38-29(30,31)32/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,33,37).
What are the key properties of 2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 522.57 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 122188593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).