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

C21H24F3N5O3S — CID 171693406

IUPAC4-[2-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)C2)cs1
InChIInChI=1S/C19H23N5OS.C2HF3O2/c1-2-18-20-19(16-3-5-22(12-16)11-15-4-10-26-14-15)21-24(18)13-17(1)23-6-8-25-9-7-23;3-2(4,5)1(6)7/h1-2,4,10,13-14,16H,3,5-9,11-12H2;(H,6,7)
InChIKeyRKXQKZPIWZGDRH-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.25
Rot. Bonds4

About 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

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 (PubChem CID 171693406) has the molecular formula C21H24F3N5O3S and a molecular weight of 483.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[2-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
PubChem CID171693406
Molecular FormulaC21H24F3N5O3S
Molecular Weight483.52 g/mol
Exact Mass483.16
IUPAC Name4-[2-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)C2)cs1
InChIInChI=1S/C19H23N5OS.C2HF3O2/c1-2-18-20-19(16-3-5-22(12-16)11-15-4-10-26-14-15)21-24(18)13-17(1)23-6-8-25-9-7-23;3-2(4,5)1(6)7/h1-2,4,10,13-14,16H,3,5-9,11-12H2;(H,6,7)
InChIKeyRKXQKZPIWZGDRH-UHFFFAOYSA-N
XLogP3.25
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-[(3-methylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171695279
4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155848353
4-[2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826344
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
[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
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-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828673
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
N,N-dimethyl-2-[4-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]acetamide
CID 97447809

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(O)C(F)(F)F.c1cc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)C2)cs1.
What is the InChIKey of 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?
The InChIKey is RKXQKZPIWZGDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS.C2HF3O2/c1-2-18-20-19(16-3-5-22(12-16)11-15-4-10-26-14-15)21-24(18)13-17(1)23-6-8-25-9-7-23;3-2(4,5)1(6)7/h1-2,4,10,13-14,16H,3,5-9,11-12H2;(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 483.52 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171693406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).