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

C29H32FN5O4 — CID 25218338

IUPAC2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cc(CN(C)C)cc(-c2cnc3nc(-c4ccc(F)c(OC)c4)n(CC(=O)NC(C)C)c(=O)c3c2)c1
InChIInChI=1S/C29H32FN5O4/c1-17(2)32-26(36)16-35-28(19-7-8-24(30)25(13-19)39-6)33-27-23(29(35)37)12-21(14-31-27)20-9-18(15-34(3)4)10-22(11-20)38-5/h7-14,17H,15-16H2,1-6H3,(H,32,36)
InChIKeyUOOPHAUHTBLBPR-UHFFFAOYSA-N
MW533.60 g/mol
LogP3.87
Rot. Bonds9

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

2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 25218338) has the molecular formula C29H32FN5O4 and a molecular weight of 533.60 g/mol. Its IUPAC name is 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
PubChem CID25218338
Molecular FormulaC29H32FN5O4
Molecular Weight533.60 g/mol
Exact Mass533.24
IUPAC Name2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cc(CN(C)C)cc(-c2cnc3nc(-c4ccc(F)c(OC)c4)n(CC(=O)NC(C)C)c(=O)c3c2)c1
InChIInChI=1S/C29H32FN5O4/c1-17(2)32-26(36)16-35-28(19-7-8-24(30)25(13-19)39-6)33-27-23(29(35)37)12-21(14-31-27)20-9-18(15-34(3)4)10-22(11-20)38-5/h7-14,17H,15-16H2,1-6H3,(H,32,36)
InChIKeyUOOPHAUHTBLBPR-UHFFFAOYSA-N
XLogP3.87
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.60
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(6-methoxy-2-pyridinyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 46892592
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
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-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-[6-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 174560057
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-[2-fluoro-5-(methylaminomethyl)phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511782
2-[3-(4-fluoro-3-methoxyphenyl)-7-hydroxy-1-oxoisoquinolin-2-yl]-N-propan-2-ylacetamide
CID 67121478
2-[6-hydroxy-7-methoxy-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525567
2-[2-(4-fluoro-3-methoxyphenyl)-6-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59518979
2-[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(4-fluoro-3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59519045

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 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) is 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is COc1cc(CN(C)C)cc(-c2cnc3nc(-c4ccc(F)c(OC)c4)n(CC(=O)NC(C)C)c(=O)c3c2)c1.
What is the InChIKey of 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is UOOPHAUHTBLBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O4/c1-17(2)32-26(36)16-35-28(19-7-8-24(30)25(13-19)39-6)33-27-23(29(35)37)12-21(14-31-27)20-9-18(15-34(3)4)10-22(11-20)38-5/h7-14,17H,15-16H2,1-6H3,(H,32,36).
What are the key properties of 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 533.60 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 25218338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).