N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid

C20H28F3N5O3 — CID 118744647

IUPACN-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC(c2nc3ccc(NC4CCC4)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N5O.C2HF3O2/c1-24-12-11-22-9-7-14(8-10-22)18-20-17-6-5-16(13-23(17)21-18)19-15-3-2-4-15;3-2(4,5)1(6)7/h5-6,13-15,19H,2-4,7-12H2,1H3;(H,6,7)
InChIKeyASJNWKZPPIYQAL-UHFFFAOYSA-N
MW443.47 g/mol
LogP3.15
Rot. Bonds6

About N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid

N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid (PubChem CID 118744647) has the molecular formula C20H28F3N5O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid
PubChem CID118744647
Molecular FormulaC20H28F3N5O3
Molecular Weight443.47 g/mol
Exact Mass443.21
IUPAC NameN-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC(c2nc3ccc(NC4CCC4)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N5O.C2HF3O2/c1-24-12-11-22-9-7-14(8-10-22)18-20-17-6-5-16(13-23(17)21-18)19-15-3-2-4-15;3-2(4,5)1(6)7/h5-6,13-15,19H,2-4,7-12H2,1H3;(H,6,7)
InChIKeyASJNWKZPPIYQAL-UHFFFAOYSA-N
XLogP3.15
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-[1-(2-methylpropyl)piperidin-4-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 118746239
N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid
CID 118744262
6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 118744645
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847216
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847875
2-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155829351
6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155853436
2-(1-ethylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155830086
[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155833117
2-[[4-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155831637
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155829349
3-(cyclobutylamino)-7-(2-methoxyethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155843551

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid (CID 118744647) is N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid is COCCN1CCC(c2nc3ccc(NC4CCC4)cn3n2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ASJNWKZPPIYQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O.C2HF3O2/c1-24-12-11-22-9-7-14(8-10-22)18-20-17-6-5-16(13-23(17)21-18)19-15-3-2-4-15;3-2(4,5)1(6)7/h5-6,13-15,19H,2-4,7-12H2,1H3;(H,6,7).
What are the key properties of N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid?
N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid has a molecular weight of 443.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[1-(2-methoxyethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).