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

C24H23ClN6O2 — CID 71557073

IUPAC6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2Cl)cc2cnc(NC3CCOC3)nc21
InChIInChI=1S/C24H23ClN6O2/c1-3-31-22-16(12-28-24(30-22)29-17-6-9-33-13-17)10-19(23(31)32)18-5-4-15(11-20(18)25)21-14(2)26-7-8-27-21/h4-5,7-8,10-12,17H,3,6,9,13H2,1-2H3,(H,28,29,30)
InChIKeySULNJPIWUHSDIS-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.10
Rot. Bonds5

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

6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71557073) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID71557073
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2Cl)cc2cnc(NC3CCOC3)nc21
InChIInChI=1S/C24H23ClN6O2/c1-3-31-22-16(12-28-24(30-22)29-17-6-9-33-13-17)10-19(23(31)32)18-5-4-15(11-20(18)25)21-14(2)26-7-8-27-21/h4-5,7-8,10-12,17H,3,6,9,13H2,1-2H3,(H,28,29,30)
InChIKeySULNJPIWUHSDIS-UHFFFAOYSA-N
XLogP4.10
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 71557073) is 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2Cl)cc2cnc(NC3CCOC3)nc21.
What is the InChIKey of 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SULNJPIWUHSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-3-31-22-16(12-28-24(30-22)29-17-6-9-33-13-17)10-19(23(31)32)18-5-4-15(11-20(18)25)21-14(2)26-7-8-27-21/h4-5,7-8,10-12,17H,3,6,9,13H2,1-2H3,(H,28,29,30).
What are the key properties of 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 462.94 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71557073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).