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)

C27H27F6N5O5 — CID 155847875

IUPAC2-[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)
SMILESCc1ccc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)o1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25N5O.2C2HF3O2/c1-17-7-9-21(29-17)16-27-13-11-18(12-14-27)23-25-22-10-8-20(15-28(22)26-23)24-19-5-3-2-4-6-19;2*3-2(4,5)1(6)7/h2-10,15,18,24H,11-14,16H2,1H3;2*(H,6,7)
InChIKeyLYNIYHQBWQSGRR-UHFFFAOYSA-N
MW615.53 g/mol
LogP6.02
Rot. Bonds5

About 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)

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) (PubChem CID 155847875) has the molecular formula C27H27F6N5O5 and a molecular weight of 615.53 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-[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)
PubChem CID155847875
Molecular FormulaC27H27F6N5O5
Molecular Weight615.53 g/mol
Exact Mass615.19
IUPAC Name2-[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)
SMILESCc1ccc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)o1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25N5O.2C2HF3O2/c1-17-7-9-21(29-17)16-27-13-11-18(12-14-27)23-25-22-10-8-20(15-28(22)26-23)24-19-5-3-2-4-6-19;2*3-2(4,5)1(6)7/h2-10,15,18,24H,11-14,16H2,1H3;2*(H,6,7)
InChIKeyLYNIYHQBWQSGRR-UHFFFAOYSA-N
XLogP6.02
TPSA133.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.53
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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) with MolForge

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Related Compounds

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
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
6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 97362223
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
6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 118744645
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
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
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
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 97447831
[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97362352
6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155853436
N,N-dimethyl-4-[[4-(6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methyl]aniline;2,2,2-trifluoroacetic acid
CID 155851601

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1ccc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)o1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 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)?
The InChIKey is LYNIYHQBWQSGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O.2C2HF3O2/c1-17-7-9-21(29-17)16-27-13-11-18(12-14-27)23-25-22-10-8-20(15-28(22)26-23)24-19-5-3-2-4-6-19;2*3-2(4,5)1(6)7/h2-10,15,18,24H,11-14,16H2,1H3;2*(H,6,7).
What are the key properties of 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)?
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) has a molecular weight of 615.53 g/mol, XLogP of 6.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 155847875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).