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

C24H23ClN6O2 — CID 123751190

IUPAC6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3cncc(C)n3)cc2Cl)cc2cnc(NC3(C)COC3)nc21
InChIInChI=1S/C24H23ClN6O2/c1-4-31-21-16(10-27-23(29-21)30-24(3)12-33-13-24)7-18(22(31)32)17-6-5-15(8-19(17)25)20-11-26-9-14(2)28-20/h5-11H,4,12-13H2,1-3H3,(H,27,29,30)
InChIKeyNUPORRGNRYMQGK-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.10
Rot. Bonds5

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

6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 123751190) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID123751190
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3cncc(C)n3)cc2Cl)cc2cnc(NC3(C)COC3)nc21
InChIInChI=1S/C24H23ClN6O2/c1-4-31-21-16(10-27-23(29-21)30-24(3)12-33-13-24)7-18(22(31)32)17-6-5-15(8-19(17)25)20-11-26-9-14(2)28-20/h5-11H,4,12-13H2,1-3H3,(H,27,29,30)
InChIKeyNUPORRGNRYMQGK-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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Related Compounds

6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[2-(1-iodopiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one
CID 166170812
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-[(3R)-3,4-dihydroxybutyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 90467217
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-(3,4-dihydroxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 90467066
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-[(2-oxopiperidin-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 127028470
3-azabicyclo[3.1.0]hexane;6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 144780038
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 71559274
8-(4-aminocyclohexyl)-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 71556934
8-ethyl-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 123373856
8-(4-aminobutyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 166451136
8-[(5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 91664373
6-(2-chloro-4-pyridin-2-ylphenyl)-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934558
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 71558367

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 123751190) is 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cncc(C)n3)cc2Cl)cc2cnc(NC3(C)COC3)nc21.
What is the InChIKey of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NUPORRGNRYMQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-4-31-21-16(10-27-23(29-21)30-24(3)12-33-13-24)7-18(22(31)32)17-6-5-15(8-19(17)25)20-11-26-9-14(2)28-20/h5-11H,4,12-13H2,1-3H3,(H,27,29,30).
What are the key properties of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]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-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 123751190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).