2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone

C22H18ClN5O — CID 146846057

IUPAC2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccncc1C(=O)Cc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1
InChIInChI=1S/C22H18ClN5O/c1-14-5-6-24-11-19(14)22(29)8-17-10-26-21(12-25-17)18-7-15(3-4-20(18)23)16-9-27-28(2)13-16/h3-7,9-13H,8H2,1-2H3
InChIKeySHCFIQHGDSJWAH-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.33
Rot. Bonds5

About 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone

2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone (PubChem CID 146846057) has the molecular formula C22H18ClN5O and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone
PubChem CID146846057
Molecular FormulaC22H18ClN5O
Molecular Weight403.87 g/mol
Exact Mass403.12
IUPAC Name2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccncc1C(=O)Cc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1
InChIInChI=1S/C22H18ClN5O/c1-14-5-6-24-11-19(14)22(29)8-17-10-26-21(12-25-17)18-7-15(3-4-20(18)23)16-9-27-28(2)13-16/h3-7,9-13H,8H2,1-2H3
InChIKeySHCFIQHGDSJWAH-UHFFFAOYSA-N
XLogP4.33
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone with MolForge

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Related Compounds

Tradipitant
CID 9916461
(1-Benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 16284604
(E)-3-(4-chlorophenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one
CID 11532324
N-(5-(2-chloro-5-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrazin-2-yl)-5-fluoro-4-methylnicotinamide
CID 71010166
{4-amino-2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-phenyl-1H-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chloro-phenyl)-methanone
CID 10175375
N-(5-(2-chloro-5-(1H-pyrazol-4-yl)phenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 70977685
N-(5-(2-chloro-5-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrazin-2-yl)-5-ethyl-4-methylnicotinamide
CID 70978056
N-(5-(2-chloro-5-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 70979533
N-(5-(2-chloro-5-(1,5-dimethyl-1H-pyrazol-4-yl)phenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 71010057
5-chloro-N-(5-(2-chloro-5-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 71010059
N-(5-(2-chloro-5-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrazin-2-yl)-4,5-dimethylnicotinamide
CID 71010103
N-(5-(2-chloro-5-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrazin-2-yl)-5-cyano-4-methylnicotinamide
CID 71010159

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone (CID 146846057) is 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone is Cc1ccncc1C(=O)Cc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1.
What is the InChIKey of 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone?
The InChIKey is SHCFIQHGDSJWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O/c1-14-5-6-24-11-19(14)22(29)8-17-10-26-21(12-25-17)18-7-15(3-4-20(18)23)16-9-27-28(2)13-16/h3-7,9-13H,8H2,1-2H3.
What are the key properties of 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone?
2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone has a molecular weight of 403.87 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 146846057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).