(6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C18H16ClN5O2 — CID 134792328

IUPAC(6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)nc2)C3)cc1
InChIInChI=1S/C18H16ClN5O2/c1-26-14-5-2-12(3-6-14)17-22-21-16-11-23(8-9-24(16)17)18(25)13-4-7-15(19)20-10-13/h2-7,10H,8-9,11H2,1H3
InChIKeyNKFGJYPHFBJHIO-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.66
Rot. Bonds3

About (6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 134792328) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID134792328
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name(6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)nc2)C3)cc1
InChIInChI=1S/C18H16ClN5O2/c1-26-14-5-2-12(3-6-14)17-22-21-16-11-23(8-9-24(16)17)18(25)13-4-7-15(19)20-10-13/h2-7,10H,8-9,11H2,1H3
InChIKeyNKFGJYPHFBJHIO-UHFFFAOYSA-N
XLogP2.66
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-1-ethyl-n-(4-pyridinylmethyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 9933503
(2,3-Dichlorophenyl)[(6S)-5,6-dihydro-3-(4-methoxy-2-pyridinyl)-6-methyl-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]methanone
CID 118949563
6-chloro-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
CID 122178603
(2,3-dichlorophenyl)-[(6R)-3-(4-(111C)methoxy-2-pyridinyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 168290535
[3-Chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone
CID 156811271
[4-[2-(4-Methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-pyridinyl)methanone
CID 44607977
1-[2-Ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carbonyl]piperidine-3-carboxamide
CID 49778831
N-benzyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 49791389
(3-Fluoro-4-methoxyphenyl)(4-[1,2,4]triazolo[4,3-a]pyridin-3-yl-1,4-diazepan-1-yl)methanone
CID 87054141
[4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118735346
N-[2-(4-chlorophenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798597
5-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 155523270

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 134792328) is (6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)nc2)C3)cc1.
What is the InChIKey of (6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is NKFGJYPHFBJHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-26-14-5-2-12(3-6-14)17-22-21-16-11-23(8-9-24(16)17)18(25)13-4-7-15(19)20-10-13/h2-7,10H,8-9,11H2,1H3.
What are the key properties of (6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 369.81 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 134792328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).