11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C23H16ClN7O — CID 17036667

IUPAC11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H16ClN7O/c24-16-3-4-19-17(10-16)14(12-26-19)5-8-30-9-6-20-18(22(30)32)13-27-23-28-21(29-31(20)23)15-2-1-7-25-11-15/h1-4,6-7,9-13,26H,5,8H2
InChIKeyNXUXRQHOOIFBRM-UHFFFAOYSA-N
MW441.88 g/mol
LogP3.88
Rot. Bonds4

About 11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 17036667) has the molecular formula C23H16ClN7O and a molecular weight of 441.88 g/mol. Its IUPAC name is 11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID17036667
Molecular FormulaC23H16ClN7O
Molecular Weight441.88 g/mol
Exact Mass441.11
IUPAC Name11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESO=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H16ClN7O/c24-16-3-4-19-17(10-16)14(12-26-19)5-8-30-9-6-20-18(22(30)32)13-27-23-28-21(29-31(20)23)15-2-1-7-25-11-15/h1-4,6-7,9-13,26H,5,8H2
InChIKeyNXUXRQHOOIFBRM-UHFFFAOYSA-N
XLogP3.88
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.88
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 17036667) is 11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1CCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is NXUXRQHOOIFBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN7O/c24-16-3-4-19-17(10-16)14(12-26-19)5-8-30-9-6-20-18(22(30)32)13-27-23-28-21(29-31(20)23)15-2-1-7-25-11-15/h1-4,6-7,9-13,26H,5,8H2.
What are the key properties of 11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 441.88 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyridin-3-yl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 17036667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).