2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C21H18ClN5O — CID 86683497

IUPAC2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2C)cc2cnc(Cl)nc21
InChIInChI=1S/C21H18ClN5O/c1-4-27-19-15(11-25-21(22)26-19)10-17(20(27)28)16-6-5-14(9-12(16)2)18-13(3)23-7-8-24-18/h5-11H,4H2,1-3H3
InChIKeyUHIHPODJVANQFR-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.21
Rot. Bonds3

About 2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 86683497) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID86683497
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2C)cc2cnc(Cl)nc21
InChIInChI=1S/C21H18ClN5O/c1-4-27-19-15(11-25-21(22)26-19)10-17(20(27)28)16-6-5-14(9-12(16)2)18-13(3)23-7-8-24-18/h5-11H,4H2,1-3H3
InChIKeyUHIHPODJVANQFR-UHFFFAOYSA-N
XLogP4.21
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 86683497) is 2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2C)cc2cnc(Cl)nc21.
What is the InChIKey of 2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UHIHPODJVANQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c1-4-27-19-15(11-25-21(22)26-19)10-17(20(27)28)16-6-5-14(9-12(16)2)18-13(3)23-7-8-24-18/h5-11H,4H2,1-3H3.
What are the key properties of 2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 391.86 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 86683497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).