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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Related Compounds

3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride
CID 159145522
2,3,3-trimethyl-1,2-dihydroindole
CID 10942760
5,5,6-trimethyl-7,8-dihydro-6H-quinoline
CID 143150763
(2S)-2-deuterio-3,3-dimethyl-2-phenyl-1H-indole
CID 102592929
3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole
CID 118448997
5,6,6-trimethyl-5H-benzo[h]quinoline
CID 170777086
5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
CID 147578197
(1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene
CID 101391435
3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol
CID 141026444
spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 129265256
3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole
CID 126502983
spiro[8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene-20,9'-fluorene]
CID 122631514

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).