2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate

C23H24N4O2 — CID 59242706

IUPAC2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
SMILESCC(C)COC(=O)NC1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1
InChIInChI=1S/C23H24N4O2/c1-15(2)14-29-23(28)26-18-10-20-19-9-16(12-24)6-7-21(19)27(22(20)11-18)13-17-5-3-4-8-25-17/h3-9,15,18H,10-11,13-14H2,1-2H3,(H,26,28)
InChIKeyFRCBNGSPHIYQGX-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.81
Rot. Bonds5

About 2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate

2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate (PubChem CID 59242706) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
PubChem CID59242706
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
SMILESCC(C)COC(=O)NC1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1
InChIInChI=1S/C23H24N4O2/c1-15(2)14-29-23(28)26-18-10-20-19-9-16(12-24)6-7-21(19)27(22(20)11-18)13-17-5-3-4-8-25-17/h3-9,15,18H,10-11,13-14H2,1-2H3,(H,26,28)
InChIKeyFRCBNGSPHIYQGX-UHFFFAOYSA-N
XLogP3.81
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate (CID 59242706) is 2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate is CC(C)COC(=O)NC1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1.
What is the InChIKey of 2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate?
The InChIKey is FRCBNGSPHIYQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(2)14-29-23(28)26-18-10-20-19-9-16(12-24)6-7-21(19)27(22(20)11-18)13-17-5-3-4-8-25-17/h3-9,15,18H,10-11,13-14H2,1-2H3,(H,26,28).
What are the key properties of 2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate?
2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate has a molecular weight of 388.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate is sourced from PubChem (CID 59242706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).