7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C21H21FN4O3 — CID 166235834

IUPAC7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)ccc1F
InChIInChI=1S/C21H21FN4O3/c1-10-8-13(6-7-15(10)22)11(2)23-19(27)14-9-16(12-4-5-12)24-18-17(14)20(28)25-21(29)26(18)3/h6-9,11-12H,4-5H2,1-3H3,(H,23,27)(H,25,28,29)/t11-/m1/s1
InChIKeyACHGPJDTTOXJEU-LLVKDONJSA-N
MW396.42 g/mol
LogP2.44
Rot. Bonds4

About 7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 166235834) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID166235834
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)ccc1F
InChIInChI=1S/C21H21FN4O3/c1-10-8-13(6-7-15(10)22)11(2)23-19(27)14-9-16(12-4-5-12)24-18-17(14)20(28)25-21(29)26(18)3/h6-9,11-12H,4-5H2,1-3H3,(H,23,27)(H,25,28,29)/t11-/m1/s1
InChIKeyACHGPJDTTOXJEU-LLVKDONJSA-N
XLogP2.44
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-cyclopropyl-1-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39697732
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119348614
7-cyclopropyl-1-methyl-N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 166195383
N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55576758
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55985680
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622505
7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 166190899
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37133161
6-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46564121
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 92625990
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

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 166235834) is 7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is Cc1cc([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)ccc1F.
What is the InChIKey of 7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ACHGPJDTTOXJEU-LLVKDONJSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-10-8-13(6-7-15(10)22)11(2)23-19(27)14-9-16(12-4-5-12)24-18-17(14)20(28)25-21(29)26(18)3/h6-9,11-12H,4-5H2,1-3H3,(H,23,27)(H,25,28,29)/t11-/m1/s1.
What are the key properties of 7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 166235834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).