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

C24H30ClN7O3 — CID 10128284

IUPACethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.Cl
InChIInChI=1S/C24H29N7O3.ClH/c1-2-34-23(33)19-13-16-14-27-24(29-21(16)31(22(19)32)17-5-3-4-6-17)28-20-8-7-18(15-26-20)30-11-9-25-10-12-30;/h7-8,13-15,17,25H,2-6,9-12H2,1H3,(H,26,27,28,29);1H
InChIKeyCKAATXLOPOIZQJ-UHFFFAOYSA-N
MW500.00 g/mol
LogP3.05
Rot. Bonds6

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

ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride (PubChem CID 10128284) has the molecular formula C24H30ClN7O3 and a molecular weight of 500.00 g/mol. Its IUPAC name is ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
PubChem CID10128284
Molecular FormulaC24H30ClN7O3
Molecular Weight500.00 g/mol
Exact Mass499.21
IUPAC Nameethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.Cl
InChIInChI=1S/C24H29N7O3.ClH/c1-2-34-23(33)19-13-16-14-27-24(29-21(16)31(22(19)32)17-5-3-4-6-17)28-20-8-7-18(15-26-20)30-11-9-25-10-12-30;/h7-8,13-15,17,25H,2-6,9-12H2,1H3,(H,26,27,28,29);1H
InChIKeyCKAATXLOPOIZQJ-UHFFFAOYSA-N
XLogP3.05
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.00
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride?
The IUPAC name of ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride (CID 10128284) is ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride?
The canonical SMILES for ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride is CCOC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.Cl.
What is the InChIKey of ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride?
The InChIKey is CKAATXLOPOIZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3.ClH/c1-2-34-23(33)19-13-16-14-27-24(29-21(16)31(22(19)32)17-5-3-4-6-17)28-20-8-7-18(15-26-20)30-11-9-25-10-12-30;/h7-8,13-15,17,25H,2-6,9-12H2,1H3,(H,26,27,28,29);1H.
What are the key properties of ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride?
ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride has a molecular weight of 500.00 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride is sourced from PubChem (CID 10128284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).