7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide

C24H23N5O3S — CID 55990465

IUPAC7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(-c4nccs4)c3)cc(C3CC3)nc21
InChIInChI=1S/C24H23N5O3S/c1-13(2)12-29-20-19(22(31)28-24(29)32)17(11-18(27-20)14-6-7-14)21(30)26-16-5-3-4-15(10-16)23-25-8-9-33-23/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,26,30)(H,28,31,32)
InChIKeyMGEZYXFIVVQQJM-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.99
Rot. Bonds6

About 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55990465) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55990465
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(-c4nccs4)c3)cc(C3CC3)nc21
InChIInChI=1S/C24H23N5O3S/c1-13(2)12-29-20-19(22(31)28-24(29)32)17(11-18(27-20)14-6-7-14)21(30)26-16-5-3-4-15(10-16)23-25-8-9-33-23/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,26,30)(H,28,31,32)
InChIKeyMGEZYXFIVVQQJM-UHFFFAOYSA-N
XLogP3.99
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37133161
7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55582558
7-cyclopropyl-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55972944
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55985680
N-(3-aminobutyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 119497025
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56580871
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55977632
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266452
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55587538
1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55599807

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide (CID 55990465) is 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(-c4nccs4)c3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is MGEZYXFIVVQQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-13(2)12-29-20-19(22(31)28-24(29)32)17(11-18(27-20)14-6-7-14)21(30)26-16-5-3-4-15(10-16)23-25-8-9-33-23/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,26,30)(H,28,31,32).
What are the key properties of 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55990465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).