N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C32H34F3N5O5 — CID 23401350

IUPACN-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCOc1ccc(-n2c(C(C)N(CCN3CCOCC3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1
InChIInChI=1S/C32H34F3N5O5/c1-3-44-25-12-8-24(9-13-25)40-30(37-29-27(31(40)42)5-4-14-36-29)22(2)39(16-15-38-17-19-43-20-18-38)28(41)21-23-6-10-26(11-7-23)45-32(33,34)35/h4-14,22H,3,15-21H2,1-2H3
InChIKeyNFKQVEPWNPHYJZ-UHFFFAOYSA-N
MW625.65 g/mol
LogP4.54
Rot. Bonds11

About N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 23401350) has the molecular formula C32H34F3N5O5 and a molecular weight of 625.65 g/mol. Its IUPAC name is N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID23401350
Molecular FormulaC32H34F3N5O5
Molecular Weight625.65 g/mol
Exact Mass625.25
IUPAC NameN-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCOc1ccc(-n2c(C(C)N(CCN3CCOCC3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1
InChIInChI=1S/C32H34F3N5O5/c1-3-44-25-12-8-24(9-13-25)40-30(37-29-27(31(40)42)5-4-14-36-29)22(2)39(16-15-38-17-19-43-20-18-38)28(41)21-23-6-10-26(11-7-23)45-32(33,34)35/h4-14,22H,3,15-21H2,1-2H3
InChIKeyNFKQVEPWNPHYJZ-UHFFFAOYSA-N
XLogP4.54
TPSA99.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.65
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide with MolForge

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Related Compounds

N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 24957182
N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 10077595
N-[(1R)-1-[3-(4-hydroxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 10348416
N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 67202770
N-[1-[3-(4-formylphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 153260652
ethane;N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 143164801
N-[2-(benzenesulfonyl)ethyl]-N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 67201718
N-[(1,1-dioxothian-4-yl)methyl]-N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 67200430
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 11564017
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methanesulfonamido)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 11498626
2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(2-methylsulfonylethyl)-N-[(1R)-1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrido[2,3-d]pyrimidin-2-yl]ethyl]acetamide
CID 58617364
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 11629108

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 23401350) is N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is CCOc1ccc(-n2c(C(C)N(CCN3CCOCC3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1.
What is the InChIKey of N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NFKQVEPWNPHYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O5/c1-3-44-25-12-8-24(9-13-25)40-30(37-29-27(31(40)42)5-4-14-36-29)22(2)39(16-15-38-17-19-43-20-18-38)28(41)21-23-6-10-26(11-7-23)45-32(33,34)35/h4-14,22H,3,15-21H2,1-2H3.
What are the key properties of N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 625.65 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 23401350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).