13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene

C22H21ClN4O — CID 162650665

IUPAC13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene
SMILESClc1ccc2c(c1)C1CC1c1nnc(C3CCC(Oc4ccccn4)CC3)n1-2
InChIInChI=1S/C22H21ClN4O/c23-14-6-9-19-17(11-14)16-12-18(16)22-26-25-21(27(19)22)13-4-7-15(8-5-13)28-20-3-1-2-10-24-20/h1-3,6,9-11,13,15-16,18H,4-5,7-8,12H2
InChIKeyHSXSAGFBHFCRCN-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.01
Rot. Bonds3

About 13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene

13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene (PubChem CID 162650665) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene.

Molecular Properties

Compound Name13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene
PubChem CID162650665
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene
SMILESClc1ccc2c(c1)C1CC1c1nnc(C3CCC(Oc4ccccn4)CC3)n1-2
InChIInChI=1S/C22H21ClN4O/c23-14-6-9-19-17(11-14)16-12-18(16)22-26-25-21(27(19)22)13-4-7-15(8-5-13)28-20-3-1-2-10-24-20/h1-3,6,9-11,13,15-16,18H,4-5,7-8,12H2
InChIKeyHSXSAGFBHFCRCN-UHFFFAOYSA-N
XLogP5.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene?
The IUPAC name of 13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene (CID 162650665) is 13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene.
What is the SMILES notation for 13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene?
The canonical SMILES for 13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene is Clc1ccc2c(c1)C1CC1c1nnc(C3CCC(Oc4ccccn4)CC3)n1-2.
What is the InChIKey of 13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene?
The InChIKey is HSXSAGFBHFCRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-14-6-9-19-17(11-14)16-12-18(16)22-26-25-21(27(19)22)13-4-7-15(8-5-13)28-20-3-1-2-10-24-20/h1-3,6,9-11,13,15-16,18H,4-5,7-8,12H2.
What are the key properties of 13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene?
13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene has a molecular weight of 392.89 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-8-(4-pyridin-2-yloxycyclohexyl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene is sourced from PubChem (CID 162650665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).