8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride

C22H28ClN7O — CID 10194980

IUPAC8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.Cl
InChIInChI=1S/C22H27N7O.ClH/c1-15-12-16-13-25-22(27-20(16)29(21(15)30)17-4-2-3-5-17)26-19-7-6-18(14-24-19)28-10-8-23-9-11-28;/h6-7,12-14,17,23H,2-5,8-11H2,1H3,(H,24,25,26,27);1H
InChIKeyUQKVGYXAXJDYHU-UHFFFAOYSA-N
MW441.97 g/mol
LogP3.19
Rot. Bonds4

About 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride

8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride (PubChem CID 10194980) has the molecular formula C22H28ClN7O and a molecular weight of 441.97 g/mol. Its IUPAC name is 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
PubChem CID10194980
Molecular FormulaC22H28ClN7O
Molecular Weight441.97 g/mol
Exact Mass441.20
IUPAC Name8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.Cl
InChIInChI=1S/C22H27N7O.ClH/c1-15-12-16-13-25-22(27-20(16)29(21(15)30)17-4-2-3-5-17)26-19-7-6-18(14-24-19)28-10-8-23-9-11-28;/h6-7,12-14,17,23H,2-5,8-11H2,1H3,(H,24,25,26,27);1H
InChIKeyUQKVGYXAXJDYHU-UHFFFAOYSA-N
XLogP3.19
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.97
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride 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 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The IUPAC name of 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride (CID 10194980) is 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride is Cc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.Cl.
What is the InChIKey of 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The InChIKey is UQKVGYXAXJDYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O.ClH/c1-15-12-16-13-25-22(27-20(16)29(21(15)30)17-4-2-3-5-17)26-19-7-6-18(14-24-19)28-10-8-23-9-11-28;/h6-7,12-14,17,23H,2-5,8-11H2,1H3,(H,24,25,26,27);1H.
What are the key properties of 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride has a molecular weight of 441.97 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 10194980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).