2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole

C18H18N2 — CID 158032130

IUPAC2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)c2ccccc2NC1C1=CCc2ncccc21
InChIInChI=1S/C18H18N2/c1-18(2)14-7-3-4-8-16(14)20-17(18)13-9-10-15-12(13)6-5-11-19-15/h3-9,11,17,20H,10H2,1-2H3
InChIKeyFQTUPSKBSJBWBQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.79
Rot. Bonds1

About 2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole

2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole (PubChem CID 158032130) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole
PubChem CID158032130
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)c2ccccc2NC1C1=CCc2ncccc21
InChIInChI=1S/C18H18N2/c1-18(2)14-7-3-4-8-16(14)20-17(18)13-9-10-15-12(13)6-5-11-19-15/h3-9,11,17,20H,10H2,1-2H3
InChIKeyFQTUPSKBSJBWBQ-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole (CID 158032130) is 2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole is CC1(C)c2ccccc2NC1C1=CCc2ncccc21.
What is the InChIKey of 2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is FQTUPSKBSJBWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-18(2)14-7-3-4-8-16(14)20-17(18)13-9-10-15-12(13)6-5-11-19-15/h3-9,11,17,20H,10H2,1-2H3.
What are the key properties of 2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole?
2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 262.36 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-cyclopenta[b]pyridin-5-yl)-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 158032130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).