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

C23H22F3N5O2 — CID 44625360

IUPACN-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(C(F)(F)F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H22F3N5O2/c24-23(25,26)17-10-12-30(13-11-17)21(33)16-8-4-14(5-9-16)18-2-1-3-19-27-22(29-31(18)19)28-20(32)15-6-7-15/h1-5,8-9,15,17H,6-7,10-13H2,(H,28,29,32)
InChIKeyIEZMDEBSIAGMNR-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.16
Rot. Bonds4

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

N-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625360) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is N-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625360
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC NameN-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(C(F)(F)F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H22F3N5O2/c24-23(25,26)17-10-12-30(13-11-17)21(33)16-8-4-14(5-9-16)18-2-1-3-19-27-22(29-31(18)19)28-20(32)15-6-7-15/h1-5,8-9,15,17H,6-7,10-13H2,(H,28,29,32)
InChIKeyIEZMDEBSIAGMNR-UHFFFAOYSA-N
XLogP4.16
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.16
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)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625360) is N-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(C(F)(F)F)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is IEZMDEBSIAGMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c24-23(25,26)17-10-12-30(13-11-17)21(33)16-8-4-14(5-9-16)18-2-1-3-19-27-22(29-31(18)19)28-20(32)15-6-7-15/h1-5,8-9,15,17H,6-7,10-13H2,(H,28,29,32).
What are the key properties of N-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 457.46 g/mol, XLogP of 4.16, 4 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)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).