4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide

C24H23FN6O — CID 59186171

IUPAC4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1ccc(Nc2nc3cccc(-c4ccc(F)cc4)n3n2)cc1
InChIInChI=1S/C24H23FN6O/c25-18-8-4-16(5-9-18)21-2-1-3-22-29-24(30-31(21)22)28-19-10-6-17(7-11-19)23(32)27-20-12-14-26-15-13-20/h1-11,20,26H,12-15H2,(H,27,32)(H,28,30)
InChIKeyZSWKGAKCBMNPNK-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.76
Rot. Bonds5

About 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide

4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (PubChem CID 59186171) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
PubChem CID59186171
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1ccc(Nc2nc3cccc(-c4ccc(F)cc4)n3n2)cc1
InChIInChI=1S/C24H23FN6O/c25-18-8-4-16(5-9-18)21-2-1-3-22-29-24(30-31(21)22)28-19-10-6-17(7-11-19)23(32)27-20-12-14-26-15-13-20/h1-11,20,26H,12-15H2,(H,27,32)(H,28,30)
InChIKeyZSWKGAKCBMNPNK-UHFFFAOYSA-N
XLogP3.76
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 44555571
N-cyclopropyl-4-[[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44625410
5-(4-fluorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916172
5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186476
4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 143916178
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide
CID 44624093
3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 70244596
4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91017506
N-(4-fluorophenyl)-5-(1H-indazol-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276650
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]benzamide
CID 70929920
N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70912615
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 44624635

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (CID 59186171) is 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is O=C(NC1CCNCC1)c1ccc(Nc2nc3cccc(-c4ccc(F)cc4)n3n2)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The InChIKey is ZSWKGAKCBMNPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c25-18-8-4-16(5-9-18)21-2-1-3-22-29-24(30-31(21)22)28-19-10-6-17(7-11-19)23(32)27-20-12-14-26-15-13-20/h1-11,20,26H,12-15H2,(H,27,32)(H,28,30).
What are the key properties of 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide has a molecular weight of 430.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 59186171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).