2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one

C22H22ClN5O2 — CID 123810759

IUPAC2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(C3=CCCCO/C(C)=N\3)cc2Cl)cc2cnc(N)nc21
InChIInChI=1S/C22H22ClN5O2/c1-3-28-20-15(12-25-22(24)27-20)10-17(21(28)29)16-8-7-14(11-18(16)23)19-6-4-5-9-30-13(2)26-19/h6-8,10-12H,3-5,9H2,1-2H3,(H2,24,25,27)/b19-6?,26-13-
InChIKeyZMIKAFQYNFKJST-DIZCKBKVSA-N
MW423.90 g/mol
LogP4.28
Rot. Bonds3

About 2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 123810759) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID123810759
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(C3=CCCCO/C(C)=N\3)cc2Cl)cc2cnc(N)nc21
InChIInChI=1S/C22H22ClN5O2/c1-3-28-20-15(12-25-22(24)27-20)10-17(21(28)29)16-8-7-14(11-18(16)23)19-6-4-5-9-30-13(2)26-19/h6-8,10-12H,3-5,9H2,1-2H3,(H2,24,25,27)/b19-6?,26-13-
InChIKeyZMIKAFQYNFKJST-DIZCKBKVSA-N
XLogP4.28
TPSA95.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-piperidin-3-ylacetamide
CID 123691272
8-[1-(2-aminoethyl)pyrrolidin-3-yl]-6-[2-chloro-4-(2-methyl-6,7-dihydro-1,3-oxazepin-4-yl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 123640900
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 71558367
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
2-chloro-8-ethyl-6-[2-methyl-4-(3-methylpyrazin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 86683497
2-amino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354765
6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473911
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-2-(1-ethoxyhexan-3-ylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 123562583
6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 51354238
2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 71557240
6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 86721955
6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934557

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 123810759) is 2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(C3=CCCCO/C(C)=N\3)cc2Cl)cc2cnc(N)nc21.
What is the InChIKey of 2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZMIKAFQYNFKJST-DIZCKBKVSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-3-28-20-15(12-25-22(24)27-20)10-17(21(28)29)16-8-7-14(11-18(16)23)19-6-4-5-9-30-13(2)26-19/h6-8,10-12H,3-5,9H2,1-2H3,(H2,24,25,27)/b19-6?,26-13-.
What are the key properties of 2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 423.90 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-chloro-4-(2-methyl-7,8-dihydro-6H-1,3-oxazocin-4-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 123810759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).