4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide

C23H24N6O — CID 133307482

IUPAC4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)cc1
InChIInChI=1S/C23H24N6O/c24-21(30)16-4-6-18(7-5-16)28-12-14-29(15-13-28)23-19-2-1-3-20(19)26-22(27-23)17-8-10-25-11-9-17/h4-11H,1-3,12-15H2,(H2,24,30)
InChIKeyLKIGFULIBQUPSB-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.45
Rot. Bonds4

About 4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide

4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide (PubChem CID 133307482) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide
PubChem CID133307482
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)cc1
InChIInChI=1S/C23H24N6O/c24-21(30)16-4-6-18(7-5-16)28-12-14-29(15-13-28)23-19-2-1-3-20(19)26-22(27-23)17-8-10-25-11-9-17/h4-11H,1-3,12-15H2,(H2,24,30)
InChIKeyLKIGFULIBQUPSB-UHFFFAOYSA-N
XLogP2.45
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide with MolForge

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Related Compounds

4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 53192919
[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone
CID 56702625
5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid
CID 167745121
4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 86966525
2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2-oxazolidine
CID 75484714
3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 133326212
1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 86934748
(9aS)-2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 100897294
(3aS,6aR)-1-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
CID 166249381
(4-hydroxypiperidin-1-yl)-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 24819166
(2S)-1-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 25453908
5,8-dimethoxy-2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 86884084

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide (CID 133307482) is 4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)cc1.
What is the InChIKey of 4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide?
The InChIKey is LKIGFULIBQUPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c24-21(30)16-4-6-18(7-5-16)28-12-14-29(15-13-28)23-19-2-1-3-20(19)26-22(27-23)17-8-10-25-11-9-17/h4-11H,1-3,12-15H2,(H2,24,30).
What are the key properties of 4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide?
4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide has a molecular weight of 400.49 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide is sourced from PubChem (CID 133307482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).