(2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone

C26H16Cl3N5O — CID 69154508

IUPAC(2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccccc1Cl)c1cccnc1-c1nnn(Cc2cc(Cl)cc(Cl)c2)c1-c1cccnc1
InChIInChI=1S/C26H16Cl3N5O/c27-18-11-16(12-19(28)13-18)15-34-25(17-5-3-9-30-14-17)24(32-33-34)23-21(7-4-10-31-23)26(35)20-6-1-2-8-22(20)29/h1-14H,15H2
InChIKeyCWQCIKUUHRMYCE-UHFFFAOYSA-N
MW520.81 g/mol
LogP6.64
Rot. Bonds6

About (2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone

(2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone (PubChem CID 69154508) has the molecular formula C26H16Cl3N5O and a molecular weight of 520.81 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone
PubChem CID69154508
Molecular FormulaC26H16Cl3N5O
Molecular Weight520.81 g/mol
Exact Mass519.04
IUPAC Name(2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccccc1Cl)c1cccnc1-c1nnn(Cc2cc(Cl)cc(Cl)c2)c1-c1cccnc1
InChIInChI=1S/C26H16Cl3N5O/c27-18-11-16(12-19(28)13-18)15-34-25(17-5-3-9-30-14-17)24(32-33-34)23-21(7-4-10-31-23)26(35)20-6-1-2-8-22(20)29/h1-14H,15H2
InChIKeyCWQCIKUUHRMYCE-UHFFFAOYSA-N
XLogP6.64
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.81
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyrimidin-5-yltriazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanone
CID 87716231
(2-chlorophenyl)-[2-[1-[(3,5-dimethylphenyl)methyl]-5-pyridin-4-yltriazol-4-yl]-3-pyridinyl]methanone
CID 69154495
[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-phenyltriazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanone
CID 59644539
[3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-3-yltriazol-4-yl]-1,2-oxazol-4-yl]-(2-chlorophenyl)methanone
CID 87716496
[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1-oxidopyridin-1-ium-4-yl)triazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanone
CID 11534520
[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-3-pyridinyl]-(2-methylphenyl)methanone
CID 87716347
[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-phenyltriazol-4-yl]phenyl]-(2-chlorophenyl)methanone
CID 59644536
4-[5-[4-[(2-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-[(3,5-dichlorophenyl)methyl]triazol-4-yl]pyridine
CID 69155008
5-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-phenyltriazol-4-yl]-4-(2-chlorobenzoyl)-1,2-oxazole-3-carbaldehyde
CID 87705600
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82203247
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
1-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-3-yltriazole-4-carbonyl]-5-(2-chlorophenyl)pyrrolidin-3-one
CID 87937401

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone (CID 69154508) is (2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone is O=C(c1ccccc1Cl)c1cccnc1-c1nnn(Cc2cc(Cl)cc(Cl)c2)c1-c1cccnc1.
What is the InChIKey of (2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone?
The InChIKey is CWQCIKUUHRMYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl3N5O/c27-18-11-16(12-19(28)13-18)15-34-25(17-5-3-9-30-14-17)24(32-33-34)23-21(7-4-10-31-23)26(35)20-6-1-2-8-22(20)29/h1-14H,15H2.
What are the key properties of (2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone?
(2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone has a molecular weight of 520.81 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-[1-[(3,5-dichlorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 69154508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).