[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C27H23ClN6O — CID 46534378

IUPAC[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C27H23ClN6O/c28-21-13-11-19(12-14-21)23-17-24(34(31-23)22-8-2-1-3-9-22)27(35)32-15-6-7-20(18-32)26-30-29-25-10-4-5-16-33(25)26/h1-5,8-14,16-17,20H,6-7,15,18H2
InChIKeyBOKWJZLVBDNALO-UHFFFAOYSA-N
MW482.98 g/mol
LogP5.26
Rot. Bonds4

About [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 46534378) has the molecular formula C27H23ClN6O and a molecular weight of 482.98 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID46534378
Molecular FormulaC27H23ClN6O
Molecular Weight482.98 g/mol
Exact Mass482.16
IUPAC Name[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C27H23ClN6O/c28-21-13-11-19(12-14-21)23-17-24(34(31-23)22-8-2-1-3-9-22)27(35)32-15-6-7-20(18-32)26-30-29-25-10-4-5-16-33(25)26/h1-5,8-14,16-17,20H,6-7,15,18H2
InChIKeyBOKWJZLVBDNALO-UHFFFAOYSA-N
XLogP5.26
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.98
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]piperidine-3-carboxamide
CID 60589023
1,3-dimethyl-6-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 125175514
2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrazol-5-one
CID 155957334
[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119561078
(2-iodophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42896883
1-(4-chlorophenyl)-4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butane-1,4-dione
CID 38172531
ethyl 1-[1-(4-chlorophenyl)-3-phenylpyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42754580
1-ethyl-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridin-2-one
CID 125171730
[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 39998594
3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 17418452
(3-aminophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119837128
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51926476

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 46534378) is [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)N1CCCC(c2nnc3ccccn23)C1.
What is the InChIKey of [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is BOKWJZLVBDNALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6O/c28-21-13-11-19(12-14-21)23-17-24(34(31-23)22-8-2-1-3-9-22)27(35)32-15-6-7-20(18-32)26-30-29-25-10-4-5-16-33(25)26/h1-5,8-14,16-17,20H,6-7,15,18H2.
What are the key properties of [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 482.98 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46534378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).