5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene

C20H22ClN5 — CID 10177031

IUPAC5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
SMILESCCc1nn(C2CCCC2)c2c1CCn1c(-c3ccccc3Cl)nnc1-2
InChIInChI=1S/C20H22ClN5/c1-2-17-15-11-12-25-19(14-9-5-6-10-16(14)21)22-23-20(25)18(15)26(24-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyCEMQXLVYSIOKKQ-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.70
Rot. Bonds3

About 5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene

5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene (PubChem CID 10177031) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.

Molecular Properties

Compound Name5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
PubChem CID10177031
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
SMILESCCc1nn(C2CCCC2)c2c1CCn1c(-c3ccccc3Cl)nnc1-2
InChIInChI=1S/C20H22ClN5/c1-2-17-15-11-12-25-19(14-9-5-6-10-16(14)21)22-23-20(25)18(15)26(24-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyCEMQXLVYSIOKKQ-UHFFFAOYSA-N
XLogP4.70
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene with MolForge

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Related Compounds

6-chloro-5,8-dimethyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72194628
6-Chloro-5,8-dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72704894
6-Chloranyl-5,8-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)ethyl]-[1,2,4]triazolo[1,5-A]pyridine
CID 90033975
(E)-6-chloro-5,8-dimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)vinyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90026501
Butyl-[8-(2,4-dichloro-phenyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-ethyl-amine
CID 10111093
[8-(2,4-Dichloro-phenyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-yl]-dipropyl-amine
CID 10715520
12-Cyclopentyl-10-ethyl-5-phenyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 9797729
12-Cyclopentyl-10-ethyl-5-pyridin-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 9945610
12-Cyclopentyl-10-ethyl-5-(2-methylphenyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 10132445
5-Benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 10132446
12-Cyclopentyl-10-ethyl-5-pyridin-4-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 10268586
12-Cyclopentyl-10-ethyl-5-[2-(trifluoromethyl)phenyl]-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 10272376

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The IUPAC name of 5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene (CID 10177031) is 5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.
What is the SMILES notation for 5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The canonical SMILES for 5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccccc3Cl)nnc1-2.
What is the InChIKey of 5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The InChIKey is CEMQXLVYSIOKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-2-17-15-11-12-25-19(14-9-5-6-10-16(14)21)22-23-20(25)18(15)26(24-17)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene has a molecular weight of 367.88 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is sourced from PubChem (CID 10177031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).