(6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone

C22H23N3O — CID 176653651

IUPAC(6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone
SMILESO=C(c1cc2ccc(C3CCC3)cc2[nH]1)N1CCCc2cnccc2C1
InChIInChI=1S/C22H23N3O/c26-22(25-10-2-5-18-13-23-9-8-19(18)14-25)21-12-17-7-6-16(11-20(17)24-21)15-3-1-4-15/h6-9,11-13,15,24H,1-5,10,14H2
InChIKeyUBTQZVZMCUWORD-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.42
Rot. Bonds2

About (6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone

(6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone (PubChem CID 176653651) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone.

Molecular Properties

Compound Name(6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone
PubChem CID176653651
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone
SMILESO=C(c1cc2ccc(C3CCC3)cc2[nH]1)N1CCCc2cnccc2C1
InChIInChI=1S/C22H23N3O/c26-22(25-10-2-5-18-13-23-9-8-19(18)14-25)21-12-17-7-6-16(11-20(17)24-21)15-3-1-4-15/h6-9,11-13,15,24H,1-5,10,14H2
InChIKeyUBTQZVZMCUWORD-UHFFFAOYSA-N
XLogP4.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone?
The IUPAC name of (6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone (CID 176653651) is (6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone.
What is the SMILES notation for (6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone?
The canonical SMILES for (6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone is O=C(c1cc2ccc(C3CCC3)cc2[nH]1)N1CCCc2cnccc2C1.
What is the InChIKey of (6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone?
The InChIKey is UBTQZVZMCUWORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(25-10-2-5-18-13-23-9-8-19(18)14-25)21-12-17-7-6-16(11-20(17)24-21)15-3-1-4-15/h6-9,11-13,15,24H,1-5,10,14H2.
What are the key properties of (6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone?
(6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclobutyl-1H-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone is sourced from PubChem (CID 176653651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).