cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid

C20H24F3N5O4 — CID 155861466

IUPACcyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CC1)N1CCOC(c2nc3ccc(N4CCCC4)cn3n2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N5O2.C2HF3O2/c24-18(13-3-4-13)22-9-10-25-15(12-22)17-19-16-6-5-14(11-23(16)20-17)21-7-1-2-8-21;3-2(4,5)1(6)7/h5-6,11,13,15H,1-4,7-10,12H2;(H,6,7)
InChIKeyWIMLBROFYIMKOV-UHFFFAOYSA-N
MW455.44 g/mol
LogP2.27
Rot. Bonds3

About cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid

cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155861466) has the molecular formula C20H24F3N5O4 and a molecular weight of 455.44 g/mol. Its IUPAC name is cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155861466
Molecular FormulaC20H24F3N5O4
Molecular Weight455.44 g/mol
Exact Mass455.18
IUPAC Namecyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CC1)N1CCOC(c2nc3ccc(N4CCCC4)cn3n2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N5O2.C2HF3O2/c24-18(13-3-4-13)22-9-10-25-15(12-22)17-19-16-6-5-14(11-23(16)20-17)21-7-1-2-8-21;3-2(4,5)1(6)7/h5-6,11,13,15H,1-4,7-10,12H2;(H,6,7)
InChIKeyWIMLBROFYIMKOV-UHFFFAOYSA-N
XLogP2.27
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-(1-ethylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155830086
[3-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827684
N,N-dimethyl-4-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171672567
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828673
4-(2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155844712
(6-methyl-2-pyridinyl)-[3-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155853426
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155839671
4-[2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171695646
4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171695440
4-[2-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171693406
oxan-4-yl-[4-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155824370
furan-2-yl-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
CID 97362299

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid (CID 155861466) is cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid is O=C(C1CC1)N1CCOC(c2nc3ccc(N4CCCC4)cn3n2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is WIMLBROFYIMKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.C2HF3O2/c24-18(13-3-4-13)22-9-10-25-15(12-22)17-19-16-6-5-14(11-23(16)20-17)21-7-1-2-8-21;3-2(4,5)1(6)7/h5-6,11,13,15H,1-4,7-10,12H2;(H,6,7).
What are the key properties of cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid?
cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 455.44 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155861466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).