4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid

C25H31N7O4 — CID 22329773

IUPAC4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
SMILESCCOCc1cc2cnc(Nc3ccc(N4CCN(C(=O)O)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H31N7O4/c1-2-36-16-18-13-17-14-27-24(29-22(17)32(23(18)33)19-5-3-4-6-19)28-21-8-7-20(15-26-21)30-9-11-31(12-10-30)25(34)35/h7-8,13-15,19H,2-6,9-12,16H2,1H3,(H,34,35)(H,26,27,28,29)
InChIKeyFSUJMUGBYYIYAO-UHFFFAOYSA-N
MW493.57 g/mol
LogP3.38
Rot. Bonds7

About 4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid

4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 22329773) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is 4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
PubChem CID22329773
Molecular FormulaC25H31N7O4
Molecular Weight493.57 g/mol
Exact Mass493.24
IUPAC Name4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
SMILESCCOCc1cc2cnc(Nc3ccc(N4CCN(C(=O)O)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H31N7O4/c1-2-36-16-18-13-17-14-27-24(29-22(17)32(23(18)33)19-5-3-4-6-19)28-21-8-7-20(15-26-21)30-9-11-31(12-10-30)25(34)35/h7-8,13-15,19H,2-6,9-12,16H2,1H3,(H,34,35)(H,26,27,28,29)
InChIKeyFSUJMUGBYYIYAO-UHFFFAOYSA-N
XLogP3.38
TPSA125.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid with MolForge

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Related Compounds

2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329937
4-[6-[[8-cyclopentyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 22329866
8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329821
4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418
ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 10128284
8-cyclopentyl-2-[[5-(3,5-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329819
4-[6-[[6-bromo-5-(bromomethyl)-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 175022940
7-cyclopentyl-2-[[5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764100
7-cyclopentyl-2-[[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764115
2-[[5-[4-(2-cyclohexylacetyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
CID 175224021
7-cyclopentyl-2-[[5-[4-(2-ethylbutyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764110
7-cyclopentyl-2-[[5-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 123614901

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid (CID 22329773) is 4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid is CCOCc1cc2cnc(Nc3ccc(N4CCN(C(=O)O)CC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is FSUJMUGBYYIYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-2-36-16-18-13-17-14-27-24(29-22(17)32(23(18)33)19-5-3-4-6-19)28-21-8-7-20(15-26-21)30-9-11-31(12-10-30)25(34)35/h7-8,13-15,19H,2-6,9-12,16H2,1H3,(H,34,35)(H,26,27,28,29).
What are the key properties of 4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid?
4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 493.57 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 22329773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).