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)

C26H25F6N5O5 — CID 155829351

IUPAC2-[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)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(Nc2ccc3nc(C4CCN(Cc5ccco5)CC4)nn3c2)cc1
InChIInChI=1S/C22H23N5O.2C2HF3O2/c1-2-5-18(6-3-1)23-19-8-9-21-24-22(25-27(21)15-19)17-10-12-26(13-11-17)16-20-7-4-14-28-20;2*3-2(4,5)1(6)7/h1-9,14-15,17,23H,10-13,16H2;2*(H,6,7)
InChIKeyIVAVCKGHIDGVAJ-UHFFFAOYSA-N
MW601.50 g/mol
LogP5.71
Rot. Bonds5

About 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)

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) (PubChem CID 155829351) has the molecular formula C26H25F6N5O5 and a molecular weight of 601.50 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-[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)
PubChem CID155829351
Molecular FormulaC26H25F6N5O5
Molecular Weight601.50 g/mol
Exact Mass601.18
IUPAC Name2-[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)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(Nc2ccc3nc(C4CCN(Cc5ccco5)CC4)nn3c2)cc1
InChIInChI=1S/C22H23N5O.2C2HF3O2/c1-2-5-18(6-3-1)23-19-8-9-21-24-22(25-27(21)15-19)17-10-12-26(13-11-17)16-20-7-4-14-28-20;2*3-2(4,5)1(6)7/h1-9,14-15,17,23H,10-13,16H2;2*(H,6,7)
InChIKeyIVAVCKGHIDGVAJ-UHFFFAOYSA-N
XLogP5.71
TPSA133.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.50
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(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-(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
3-[1-(furan-2-ylmethyl)piperidin-4-yl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid
CID 155836609
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
furan-2-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 155841042
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
[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97362352
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-[(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
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155829349

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(Nc2ccc3nc(C4CCN(Cc5ccco5)CC4)nn3c2)cc1.
What is the InChIKey of 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)?
The InChIKey is IVAVCKGHIDGVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O.2C2HF3O2/c1-2-5-18(6-3-1)23-19-8-9-21-24-22(25-27(21)15-19)17-10-12-26(13-11-17)16-20-7-4-14-28-20;2*3-2(4,5)1(6)7/h1-9,14-15,17,23H,10-13,16H2;2*(H,6,7).
What are the key properties of 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)?
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) has a molecular weight of 601.50 g/mol, XLogP of 5.71, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 155829351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).