cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone

C26H29N3O2 — CID 161196197

IUPACcyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccnc3c2C=C(c2ccc(C4CCOC4)cc2)C3)CC1
InChIInChI=1S/C26H29N3O2/c30-26(20-5-6-20)29-12-10-28(11-13-29)25-7-9-27-24-16-22(15-23(24)25)19-3-1-18(2-4-19)21-8-14-31-17-21/h1-4,7,9,15,20-21H,5-6,8,10-14,16-17H2
InChIKeyUUJGSOYMZQSTTP-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.74
Rot. Bonds4

About cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone (PubChem CID 161196197) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
PubChem CID161196197
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Namecyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccnc3c2C=C(c2ccc(C4CCOC4)cc2)C3)CC1
InChIInChI=1S/C26H29N3O2/c30-26(20-5-6-20)29-12-10-28(11-13-29)25-7-9-27-24-16-22(15-23(24)25)19-3-1-18(2-4-19)21-8-14-31-17-21/h1-4,7,9,15,20-21H,5-6,8,10-14,16-17H2
InChIKeyUUJGSOYMZQSTTP-UHFFFAOYSA-N
XLogP3.74
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
CID 158140942
3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 162244097
ethyl 4-[6-[1-(oxetan-3-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158956474
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 84589797
oxetan-3-yl 4-[6-(4,5-dimethyl-1,3-oxazol-2-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 160955719
oxetan-3-yl 4-[6-(5-cyanothiophen-3-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158293893
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
CID 159824616
[3-[methyl(oxolan-3-yl)amino]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 143492729
4-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxylic acid
CID 138385150
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337280

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone (CID 161196197) is cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2ccnc3c2C=C(c2ccc(C4CCOC4)cc2)C3)CC1.
What is the InChIKey of cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?
The InChIKey is UUJGSOYMZQSTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-26(20-5-6-20)29-12-10-28(11-13-29)25-7-9-27-24-16-22(15-23(24)25)19-3-1-18(2-4-19)21-8-14-31-17-21/h1-4,7,9,15,20-21H,5-6,8,10-14,16-17H2.
What are the key properties of cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone has a molecular weight of 415.54 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 161196197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).