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

C23H25F3N6O — CID 58374588

IUPACN-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H25F3N6O/c24-23(25,26)15-31-12-10-30(11-13-31)14-16-4-6-17(7-5-16)19-2-1-3-20-27-22(29-32(19)20)28-21(33)18-8-9-18/h1-7,18H,8-15H2,(H,28,29,33)
InChIKeyMRPSGBHFKSOAAQ-UHFFFAOYSA-N
MW458.49 g/mol
LogP3.42
Rot. Bonds6

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

N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374588) has the molecular formula C23H25F3N6O and a molecular weight of 458.49 g/mol. Its IUPAC name is N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374588
Molecular FormulaC23H25F3N6O
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC NameN-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H25F3N6O/c24-23(25,26)15-31-12-10-30(11-13-31)14-16-4-6-17(7-5-16)19-2-1-3-20-27-22(29-32(19)20)28-21(33)18-8-9-18/h1-7,18H,8-15H2,(H,28,29,33)
InChIKeyMRPSGBHFKSOAAQ-UHFFFAOYSA-N
XLogP3.42
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374588) is N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-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-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is MRPSGBHFKSOAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O/c24-23(25,26)15-31-12-10-30(11-13-31)14-16-4-6-17(7-5-16)19-2-1-3-20-27-22(29-32(19)20)28-21(33)18-8-9-18/h1-7,18H,8-15H2,(H,28,29,33).
What are the key properties of N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 458.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).