2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone

C21H20N2O — CID 67223431

IUPAC2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCCC2c3ccccc3CC21
InChIInChI=1S/C21H20N2O/c24-21(18-13-22-19-10-4-3-8-16(18)19)23-11-5-9-17-15-7-2-1-6-14(15)12-20(17)23/h1-4,6-8,10,13,17,20,22H,5,9,11-12H2
InChIKeyIHPBQKDAQIYEII-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.11
Rot. Bonds1

About 2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone

2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone (PubChem CID 67223431) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone
PubChem CID67223431
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCCC2c3ccccc3CC21
InChIInChI=1S/C21H20N2O/c24-21(18-13-22-19-10-4-3-8-16(18)19)23-11-5-9-17-15-7-2-1-6-14(15)12-20(17)23/h1-4,6-8,10,13,17,20,22H,5,9,11-12H2
InChIKeyIHPBQKDAQIYEII-UHFFFAOYSA-N
XLogP4.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(1H-indol-5-yl)methanone
CID 67224579
1H-indol-3-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316389
1-(1H-indole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 60958469
3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one
CID 56818810
1-[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 87305684
1-[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 87305683
[(4aR,9aS)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(4-amino-3-fluorophenyl)methanone
CID 67224118
[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 67223770
[(4aS,9aR)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl]-(4-chloro-3-hydroxyphenyl)methanone
CID 67969132
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl-(2-amino-3H-benzimidazol-5-yl)methanone
CID 67969150
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 67223557
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-indol-3-yl)methanone
CID 17421277

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone?
The IUPAC name of 2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone (CID 67223431) is 2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone.
What is the SMILES notation for 2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone?
The canonical SMILES for 2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CCCC2c3ccccc3CC21.
What is the InChIKey of 2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone?
The InChIKey is IHPBQKDAQIYEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(18-13-22-19-10-4-3-8-16(18)19)23-11-5-9-17-15-7-2-1-6-14(15)12-20(17)23/h1-4,6-8,10,13,17,20,22H,5,9,11-12H2.
What are the key properties of 2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone?
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone is sourced from PubChem (CID 67223431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).