5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione

C25H29N5O3 — CID 56580871

IUPAC5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(Nc4ccccc4)C3)cc(C3CC3)nc21
InChIInChI=1S/C25H29N5O3/c1-15(2)13-30-22-21(23(31)28-25(30)33)19(12-20(27-22)16-8-9-16)24(32)29-11-10-18(14-29)26-17-6-4-3-5-7-17/h3-7,12,15-16,18,26H,8-11,13-14H2,1-2H3,(H,28,31,33)
InChIKeyYECVQRGGWJFOHT-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.94
Rot. Bonds6

About 5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione

5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 56580871) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID56580871
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(Nc4ccccc4)C3)cc(C3CC3)nc21
InChIInChI=1S/C25H29N5O3/c1-15(2)13-30-22-21(23(31)28-25(30)33)19(12-20(27-22)16-8-9-16)24(32)29-11-10-18(14-29)26-17-6-4-3-5-7-17/h3-7,12,15-16,18,26H,8-11,13-14H2,1-2H3,(H,28,31,33)
InChIKeyYECVQRGGWJFOHT-UHFFFAOYSA-N
XLogP2.94
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 55929380
N-(3-aminobutyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 119497025
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)-2,4-dioxo-N-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55985680
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-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55990465
5-(4-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119375755
7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55582558
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266452
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37248102
5-(3-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 119380475

Frequently Asked Questions

What is the IUPAC name of 5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 56580871) is 5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(Nc4ccccc4)C3)cc(C3CC3)nc21.
What is the InChIKey of 5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YECVQRGGWJFOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-15(2)13-30-22-21(23(31)28-25(30)33)19(12-20(27-22)16-8-9-16)24(32)29-11-10-18(14-29)26-17-6-4-3-5-7-17/h3-7,12,15-16,18,26H,8-11,13-14H2,1-2H3,(H,28,31,33).
What are the key properties of 5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione?
5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 447.54 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56580871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).