1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one

C25H27N5O — CID 133337105

IUPAC1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESO=C1C(Nc2nc(-c3ccncc3)nc3c2CCC3)CCN1CCCc1ccccc1
InChIInChI=1S/C25H27N5O/c31-25-22(13-17-30(25)16-5-8-18-6-2-1-3-7-18)28-24-20-9-4-10-21(20)27-23(29-24)19-11-14-26-15-12-19/h1-3,6-7,11-12,14-15,22H,4-5,8-10,13,16-17H2,(H,27,28,29)
InChIKeyWKPWACLURGIDDW-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.67
Rot. Bonds7

About 1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one

1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 133337105) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID133337105
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESO=C1C(Nc2nc(-c3ccncc3)nc3c2CCC3)CCN1CCCc1ccccc1
InChIInChI=1S/C25H27N5O/c31-25-22(13-17-30(25)16-5-8-18-6-2-1-3-7-18)28-24-20-9-4-10-21(20)27-23(29-24)19-11-14-26-15-12-19/h1-3,6-7,11-12,14-15,22H,4-5,8-10,13,16-17H2,(H,27,28,29)
InChIKeyWKPWACLURGIDDW-UHFFFAOYSA-N
XLogP3.67
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one with MolForge

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Related Compounds

1-methyl-3-[(2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]pyrrolidin-2-one
CID 56896727
3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133337054
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133337113
3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133483895
N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 166186696
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-phenylethyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389388
1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133418807
N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133474026
5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 133485643
1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol
CID 133400226
1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
CID 166232757
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one (CID 133337105) is 1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one is O=C1C(Nc2nc(-c3ccncc3)nc3c2CCC3)CCN1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is WKPWACLURGIDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c31-25-22(13-17-30(25)16-5-8-18-6-2-1-3-7-18)28-24-20-9-4-10-21(20)27-23(29-24)19-11-14-26-15-12-19/h1-3,6-7,11-12,14-15,22H,4-5,8-10,13,16-17H2,(H,27,28,29).
What are the key properties of 1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 413.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133337105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).