2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

C27H26Cl2FN5O2 — CID 25216617

IUPAC2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2ccc(F)c(Cl)c2)nc2ncc(-c3cc(Cl)cc(CN(C)C)c3)cc2c1=O
InChIInChI=1S/C27H26Cl2FN5O2/c1-15(2)32-24(36)14-35-26(17-5-6-23(30)22(29)11-17)33-25-21(27(35)37)10-19(12-31-25)18-7-16(13-34(3)4)8-20(28)9-18/h5-12,15H,13-14H2,1-4H3,(H,32,36)
InChIKeyOWESEFOMNJQWFJ-UHFFFAOYSA-N
MW542.44 g/mol
LogP5.16
Rot. Bonds7

About 2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 25216617) has the molecular formula C27H26Cl2FN5O2 and a molecular weight of 542.44 g/mol. Its IUPAC name is 2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
PubChem CID25216617
Molecular FormulaC27H26Cl2FN5O2
Molecular Weight542.44 g/mol
Exact Mass541.14
IUPAC Name2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2ccc(F)c(Cl)c2)nc2ncc(-c3cc(Cl)cc(CN(C)C)c3)cc2c1=O
InChIInChI=1S/C27H26Cl2FN5O2/c1-15(2)32-24(36)14-35-26(17-5-6-23(30)22(29)11-17)33-25-21(27(35)37)10-19(12-31-25)18-7-16(13-34(3)4)8-20(28)9-18/h5-12,15H,13-14H2,1-4H3,(H,32,36)
InChIKeyOWESEFOMNJQWFJ-UHFFFAOYSA-N
XLogP5.16
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-4-oxo-2-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25218208
2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25218338
2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 46892591
2-[2-(4-chloro-3-methoxyphenyl)-6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25216483
2-[2-(3-chlorophenyl)-6-[3-(methylaminomethyl)-5-(trifluoromethyl)phenyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25217700
2-[6-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 174560057
2-[2-(3-chloro-4-fluorophenyl)-6-(4-ethyl-1,4-diazepan-1-yl)-4-oxoquinazolin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 59518941
2-[6-[2-fluoro-5-(methylaminomethyl)phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511782
2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25217348
2-[2-(3,5-dichlorophenyl)-4-oxo-6-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 59518966
2-[2-(3-chlorophenyl)-6-[3-(2-methylpyrrolidin-1-yl)propoxy]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68688604
N-(3-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-3-yl)acetamide
CID 53116353

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (CID 25216617) is 2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(-c2ccc(F)c(Cl)c2)nc2ncc(-c3cc(Cl)cc(CN(C)C)c3)cc2c1=O.
What is the InChIKey of 2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is OWESEFOMNJQWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2FN5O2/c1-15(2)32-24(36)14-35-26(17-5-6-23(30)22(29)11-17)33-25-21(27(35)37)10-19(12-31-25)18-7-16(13-34(3)4)8-20(28)9-18/h5-12,15H,13-14H2,1-4H3,(H,32,36).
What are the key properties of 2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 542.44 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-chloro-5-[(dimethylamino)methyl]phenyl]-2-(3-chloro-4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 25216617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).