cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

C21H25N5O — CID 133498856

IUPACcyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCN(c2nc(-c3ccccn3)nc3c2CCC3)CC1
InChIInChI=1S/C21H25N5O/c27-21(15-8-9-15)26-12-4-11-25(13-14-26)20-16-5-3-7-17(16)23-19(24-20)18-6-1-2-10-22-18/h1-2,6,10,15H,3-5,7-9,11-14H2
InChIKeySPZZSVBOMFKKRR-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.48
Rot. Bonds3

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

cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 133498856) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
PubChem CID133498856
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Namecyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCN(c2nc(-c3ccccn3)nc3c2CCC3)CC1
InChIInChI=1S/C21H25N5O/c27-21(15-8-9-15)26-12-4-11-25(13-14-26)20-16-5-3-7-17(16)23-19(24-20)18-6-1-2-10-22-18/h1-2,6,10,15H,3-5,7-9,11-14H2
InChIKeySPZZSVBOMFKKRR-UHFFFAOYSA-N
XLogP2.48
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45229762
(4-hydroxypiperidin-1-yl)-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 24819166
1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
CID 133390815
2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 133455675
1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 75372045
N-ethyl-N-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 86806537
2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 133412721
methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 133362775
(5aR,8aR)-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine
CID 100574070
1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
CID 133336812
(3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 95714707
1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56861041

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone (CID 133498856) is cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone is O=C(C1CC1)N1CCCN(c2nc(-c3ccccn3)nc3c2CCC3)CC1.
What is the InChIKey of cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is SPZZSVBOMFKKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-21(15-8-9-15)26-12-4-11-25(13-14-26)20-16-5-3-7-17(16)23-19(24-20)18-6-1-2-10-22-18/h1-2,6,10,15H,3-5,7-9,11-14H2.
What are the key properties of cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone?
cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 363.47 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 133498856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).