4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile

C17H13ClN4 — CID 141204030

IUPAC4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2Cc2nccnc2Cl)CCC1
InChIInChI=1S/C17H13ClN4/c18-17-14(20-6-7-21-17)10-22-15-3-1-2-12(15)13-8-11(9-19)4-5-16(13)22/h4-8H,1-3,10H2
InChIKeyOXWHAEFUWILPRC-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.49
Rot. Bonds2

About 4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile

4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile (PubChem CID 141204030) has the molecular formula C17H13ClN4 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile.

Molecular Properties

Compound Name4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
PubChem CID141204030
Molecular FormulaC17H13ClN4
Molecular Weight308.77 g/mol
Exact Mass308.08
IUPAC Name4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2Cc2nccnc2Cl)CCC1
InChIInChI=1S/C17H13ClN4/c18-17-14(20-6-7-21-17)10-22-15-3-1-2-12(15)13-8-11(9-19)4-5-16(13)22/h4-8H,1-3,10H2
InChIKeyOXWHAEFUWILPRC-UHFFFAOYSA-N
XLogP3.49
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The IUPAC name of 4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile (CID 141204030) is 4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile.
What is the SMILES notation for 4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The canonical SMILES for 4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile is N#Cc1ccc2c(c1)c1c(n2Cc2nccnc2Cl)CCC1.
What is the InChIKey of 4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The InChIKey is OXWHAEFUWILPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4/c18-17-14(20-6-7-21-17)10-22-15-3-1-2-12(15)13-8-11(9-19)4-5-16(13)22/h4-8H,1-3,10H2.
What are the key properties of 4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile has a molecular weight of 308.77 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloropyrazin-2-yl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile is sourced from PubChem (CID 141204030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).