2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone

C28H36N6O2 — CID 11260333

IUPAC2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone
SMILESCc1cc(Nc2ncnc3cnc(N(C)C)cc23)ccc1OC1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C28H36N6O2/c1-19-14-21(32-28-23-16-26(33(2)3)29-17-24(23)30-18-31-28)8-9-25(19)36-22-10-12-34(13-11-22)27(35)15-20-6-4-5-7-20/h8-9,14,16-18,20,22H,4-7,10-13,15H2,1-3H3,(H,30,31,32)
InChIKeyCDPZNFGYQOFLBE-UHFFFAOYSA-N
MW488.64 g/mol
LogP5.09
Rot. Bonds7

About 2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone (PubChem CID 11260333) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone
PubChem CID11260333
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone
SMILESCc1cc(Nc2ncnc3cnc(N(C)C)cc23)ccc1OC1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C28H36N6O2/c1-19-14-21(32-28-23-16-26(33(2)3)29-17-24(23)30-18-31-28)8-9-25(19)36-22-10-12-34(13-11-22)27(35)15-20-6-4-5-7-20/h8-9,14,16-18,20,22H,4-7,10-13,15H2,1-3H3,(H,30,31,32)
InChIKeyCDPZNFGYQOFLBE-UHFFFAOYSA-N
XLogP5.09
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopentyl-1-[4-[2-methyl-4-[(6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidin-1-yl]ethanone
CID 11375738
N-tert-butyl-4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidine-1-carboxamide
CID 69056988
cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone
CID 11306395
N-[4-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]oxy-3-methylanilino]pyrido[3,4-d]pyrimidin-6-yl]prop-2-enamide
CID 69053722
cyclopentyl-[4-[2-methyl-4-[(6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidin-1-yl]methanone
CID 11752667
[4-[2-methyl-4-[(6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 69054200
N-(2,6-difluorophenyl)-4-[2-methyl-4-[[6-(prop-2-enoylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]phenoxy]piperidine-1-carboxamide
CID 90988220
4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 91576976
[4-[2-chloro-4-[(6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidin-1-yl]-cyclopentylmethanone
CID 11226183
N-(2-chlorophenyl)-4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidine-1-carboxamide
CID 91605752
N-(2,5-difluorophenyl)-4-[2-methyl-4-[(6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidine-1-carboxamide
CID 90805697
1-[4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-2-hydroxyethanone
CID 11692459

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone (CID 11260333) is 2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone is Cc1cc(Nc2ncnc3cnc(N(C)C)cc23)ccc1OC1CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone?
The InChIKey is CDPZNFGYQOFLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-19-14-21(32-28-23-16-26(33(2)3)29-17-24(23)30-18-31-28)8-9-25(19)36-22-10-12-34(13-11-22)27(35)15-20-6-4-5-7-20/h8-9,14,16-18,20,22H,4-7,10-13,15H2,1-3H3,(H,30,31,32).
What are the key properties of 2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone has a molecular weight of 488.64 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 11260333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).