ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate

C25H31N7O3 — CID 5330287

IUPACethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H31N7O3/c1-3-35-24(34)21-16(2)19-15-28-25(30-22(19)32(23(21)33)17-6-4-5-7-17)29-20-9-8-18(14-27-20)31-12-10-26-11-13-31/h8-9,14-15,17,26H,3-7,10-13H2,1-2H3,(H,27,28,29,30)
InChIKeyFSSNONJREOQPMO-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.94
Rot. Bonds6

About ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 5330287) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID5330287
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Nameethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H31N7O3/c1-3-35-24(34)21-16(2)19-15-28-25(30-22(19)32(23(21)33)17-6-4-5-7-17)29-20-9-8-18(14-27-20)31-12-10-26-11-13-31/h8-9,14-15,17,26H,3-7,10-13H2,1-2H3,(H,27,28,29,30)
InChIKeyFSSNONJREOQPMO-UHFFFAOYSA-N
XLogP2.94
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate (CID 5330287) is ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is FSSNONJREOQPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-3-35-24(34)21-16(2)19-15-28-25(30-22(19)32(23(21)33)17-6-4-5-7-17)29-20-9-8-18(14-27-20)31-12-10-26-11-13-31/h8-9,14-15,17,26H,3-7,10-13H2,1-2H3,(H,27,28,29,30).
What are the key properties of ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 477.57 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-cyclopentyl-5-methyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 5330287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).