(2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

C20H19Cl2N5O — CID 90408775

IUPAC(2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cc(C)nc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)C3C)c1
InChIInChI=1S/C20H19Cl2N5O/c1-11-9-12(2)23-17(10-11)27-16-7-8-26(13(3)19(16)24-25-27)20(28)14-5-4-6-15(21)18(14)22/h4-6,9-10,13H,7-8H2,1-3H3
InChIKeyDKMRXVCUOIHSIP-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.35
Rot. Bonds2

About (2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

(2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 90408775) has the molecular formula C20H19Cl2N5O and a molecular weight of 416.31 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID90408775
Molecular FormulaC20H19Cl2N5O
Molecular Weight416.31 g/mol
Exact Mass415.10
IUPAC Name(2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cc(C)nc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)C3C)c1
InChIInChI=1S/C20H19Cl2N5O/c1-11-9-12(2)23-17(10-11)27-16-7-8-26(13(3)19(16)24-25-27)20(28)14-5-4-6-15(21)18(14)22/h4-6,9-10,13H,7-8H2,1-3H3
InChIKeyDKMRXVCUOIHSIP-UHFFFAOYSA-N
XLogP4.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-Dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10718271
(2,3-dichlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599177
7-[(2,3-Dichlorophenyl)carbonyl]-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
CID 66599198
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-4-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 85470872
(2,3-Dichlorophenyl)(1-phenyl-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)methanone
CID 86271660
(2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 86281680
[2-chloro-3-(trifluoromethyl)phenyl]-[(6S)-6-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90408756
[2-chloro-3-(trifluoromethyl)phenyl]-[(6R)-6-methyl-1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90409587
[2-chloro-3-(trifluoromethyl)phenyl]-[(4S)-4-methyl-1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90409795
[2-chloro-3-(trifluoromethyl)phenyl]-[(6S)-6-methyl-1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90410264
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-1-(4-fluoropyridin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90410604
(2,3-dichlorophenyl)-[(8R)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 118949555

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 90408775) is (2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is Cc1cc(C)nc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)C3C)c1.
What is the InChIKey of (2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is DKMRXVCUOIHSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O/c1-11-9-12(2)23-17(10-11)27-16-7-8-26(13(3)19(16)24-25-27)20(28)14-5-4-6-15(21)18(14)22/h4-6,9-10,13H,7-8H2,1-3H3.
What are the key properties of (2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
(2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 416.31 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 90408775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).