2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone

C24H25N5O — CID 167937643

IUPAC2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccc(Nc2nc(-c3ccncc3)nc3c2CCC3)cc1)N1CCCC1
InChIInChI=1S/C24H25N5O/c30-22(29-14-1-2-15-29)16-17-6-8-19(9-7-17)26-24-20-4-3-5-21(20)27-23(28-24)18-10-12-25-13-11-18/h6-13H,1-5,14-16H2,(H,26,27,28)
InChIKeyAHUKWZCDUYNZEI-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.94
Rot. Bonds5

About 2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone

2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone (PubChem CID 167937643) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone
PubChem CID167937643
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccc(Nc2nc(-c3ccncc3)nc3c2CCC3)cc1)N1CCCC1
InChIInChI=1S/C24H25N5O/c30-22(29-14-1-2-15-29)16-17-6-8-19(9-7-17)26-24-20-4-3-5-21(20)27-23(28-24)18-10-12-25-13-11-18/h6-13H,1-5,14-16H2,(H,26,27,28)
InChIKeyAHUKWZCDUYNZEI-UHFFFAOYSA-N
XLogP3.94
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133315883
1-morpholin-4-yl-2-[4-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 167963906
N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316321
N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 166186696
2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 74221039
1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
CID 92551807
2-(4-fluorophenyl)-1-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 7225721
1-(azepan-1-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080861
1-cyclopentyl-2-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol
CID 133306823
2-[4-[(2-phenyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 71624959
1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol
CID 133400226
2-(2,6-difluorophenyl)-4-[4-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 166987625

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone (CID 167937643) is 2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone is O=C(Cc1ccc(Nc2nc(-c3ccncc3)nc3c2CCC3)cc1)N1CCCC1.
What is the InChIKey of 2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is AHUKWZCDUYNZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-22(29-14-1-2-15-29)16-17-6-8-19(9-7-17)26-24-20-4-3-5-21(20)27-23(28-24)18-10-12-25-13-11-18/h6-13H,1-5,14-16H2,(H,26,27,28).
What are the key properties of 2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone?
2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 399.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 167937643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).