7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide

C23H23F3N4O4 — CID 55725891

IUPAC7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cccc(OCC(F)(F)F)c3)cc(C3CC3)nc21
InChIInChI=1S/C23H23F3N4O4/c1-2-8-30-19-18(21(32)29-22(30)33)16(10-17(28-19)14-6-7-14)20(31)27-11-13-4-3-5-15(9-13)34-12-23(24,25)26/h3-5,9-10,14H,2,6-8,11-12H2,1H3,(H,27,31)(H,29,32,33)
InChIKeyHQFRRDGRVLWEPY-UHFFFAOYSA-N
MW476.46 g/mol
LogP3.24
Rot. Bonds8

About 7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55725891) has the molecular formula C23H23F3N4O4 and a molecular weight of 476.46 g/mol. Its IUPAC name is 7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55725891
Molecular FormulaC23H23F3N4O4
Molecular Weight476.46 g/mol
Exact Mass476.17
IUPAC Name7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cccc(OCC(F)(F)F)c3)cc(C3CC3)nc21
InChIInChI=1S/C23H23F3N4O4/c1-2-8-30-19-18(21(32)29-22(30)33)16(10-17(28-19)14-6-7-14)20(31)27-11-13-4-3-5-15(9-13)34-12-23(24,25)26/h3-5,9-10,14H,2,6-8,11-12H2,1H3,(H,27,31)(H,29,32,33)
InChIKeyHQFRRDGRVLWEPY-UHFFFAOYSA-N
XLogP3.24
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 60555570
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119629261
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
7-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37037491
7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37191076
N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 78887243
7-cyclopropyl-1-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39697732
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119348614
N-(2-aminophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119422524
N-(1-amino-2-methylpropan-2-yl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119524035
7-cyclopropyl-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 86937513

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide (CID 55725891) is 7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cccc(OCC(F)(F)F)c3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is HQFRRDGRVLWEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4/c1-2-8-30-19-18(21(32)29-22(30)33)16(10-17(28-19)14-6-7-14)20(31)27-11-13-4-3-5-15(9-13)34-12-23(24,25)26/h3-5,9-10,14H,2,6-8,11-12H2,1H3,(H,27,31)(H,29,32,33).
What are the key properties of 7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 476.46 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55725891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).