N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H24F3N5O — CID 58374804

IUPACN-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H24F3N5O/c24-23(25,26)18-10-12-30(13-11-18)14-15-4-6-16(7-5-15)19-2-1-3-20-27-22(29-31(19)20)28-21(32)17-8-9-17/h1-7,17-18H,8-14H2,(H,28,29,32)
InChIKeyBOVBUNRYPMARQB-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.52
Rot. Bonds5

About N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374804) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374804
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC NameN-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H24F3N5O/c24-23(25,26)18-10-12-30(13-11-18)14-15-4-6-16(7-5-15)19-2-1-3-20-27-22(29-31(19)20)28-21(32)17-8-9-17/h1-7,17-18H,8-14H2,(H,28,29,32)
InChIKeyBOVBUNRYPMARQB-UHFFFAOYSA-N
XLogP4.52
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374804) is N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is BOVBUNRYPMARQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c24-23(25,26)18-10-12-30(13-11-18)14-15-4-6-16(7-5-15)19-2-1-3-20-27-22(29-31(19)20)28-21(32)17-8-9-17/h1-7,17-18H,8-14H2,(H,28,29,32).
What are the key properties of N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 443.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).