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

C23H25F3N4O — CID 122188590

IUPAC2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(C(F)(F)F)CC4)cc3)c2c1
InChIInChI=1S/C23H25F3N4O/c1-15-7-12-30-20(13-15)21(16(2)28-30)22(31)27-14-17-3-5-19(6-4-17)29-10-8-18(9-11-29)23(24,25)26/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,27,31)
InChIKeyXRDCXADXNCHQNN-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.66
Rot. Bonds4

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

2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 122188590) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID122188590
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(C(F)(F)F)CC4)cc3)c2c1
InChIInChI=1S/C23H25F3N4O/c1-15-7-12-30-20(13-15)21(16(2)28-30)22(31)27-14-17-3-5-19(6-4-17)29-10-8-18(9-11-29)23(24,25)26/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,27,31)
InChIKeyXRDCXADXNCHQNN-UHFFFAOYSA-N
XLogP4.66
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 122188590) is 2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(C(F)(F)F)CC4)cc3)c2c1.
What is the InChIKey of 2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is XRDCXADXNCHQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-15-7-12-30-20(13-15)21(16(2)28-30)22(31)27-14-17-3-5-19(6-4-17)29-10-8-18(9-11-29)23(24,25)26/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,27,31).
What are the key properties of 2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 122188590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).