8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid

C25H27N5O4 — CID 69230577

IUPAC8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cn(C2CCCCC2)c2nc(Nc3ccc(C(=O)N4CCCC4)cc3)ncc2c1=O
InChIInChI=1S/C25H27N5O4/c31-21-19-14-26-25(27-17-10-8-16(9-11-17)23(32)29-12-4-5-13-29)28-22(19)30(15-20(21)24(33)34)18-6-2-1-3-7-18/h8-11,14-15,18H,1-7,12-13H2,(H,33,34)(H,26,27,28)
InChIKeyQCFGCJYLCBXOHA-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.97
Rot. Bonds5

About 8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid

8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 69230577) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID69230577
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cn(C2CCCCC2)c2nc(Nc3ccc(C(=O)N4CCCC4)cc3)ncc2c1=O
InChIInChI=1S/C25H27N5O4/c31-21-19-14-26-25(27-17-10-8-16(9-11-17)23(32)29-12-4-5-13-29)28-22(19)30(15-20(21)24(33)34)18-6-2-1-3-7-18/h8-11,14-15,18H,1-7,12-13H2,(H,33,34)(H,26,27,28)
InChIKeyQCFGCJYLCBXOHA-UHFFFAOYSA-N
XLogP3.97
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

8-cyclohexyl-5-oxo-2-[4-[2-(propan-2-ylsulfamoyl)ethyl]anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 69208022
[4-(2-anilino-7-cyclohexylpyrrolo[2,3-d]pyrimidin-5-yl)piperidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 153365812
8-(4,4-dimethylcyclohexyl)-2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 69228918
8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24936989
7-cyclopentyl-5-methyl-N-(4-piperidin-1-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 58015910
ethyl 8-cyclohexyl-5-oxo-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 68583351
7-cyclopentyl-2-[4-(pyrrolidine-1-carbonyl)anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
CID 154968835
8-(4,4-dimethylcyclohexyl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218662
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
tert-butyl 4-[[7-cyclopentyl-6-(piperidine-1-carbonyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoate;molecular hydrogen
CID 178155502
8-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluoroanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 141171388
8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one
CID 91144575

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 69230577) is 8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cn(C2CCCCC2)c2nc(Nc3ccc(C(=O)N4CCCC4)cc3)ncc2c1=O.
What is the InChIKey of 8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is QCFGCJYLCBXOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c31-21-19-14-26-25(27-17-10-8-16(9-11-17)23(32)29-12-4-5-13-29)28-22(19)30(15-20(21)24(33)34)18-6-2-1-3-7-18/h8-11,14-15,18H,1-7,12-13H2,(H,33,34)(H,26,27,28).
What are the key properties of 8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 461.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-5-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 69230577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).