6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole

C19H22ClN5 — CID 56913961

IUPAC6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESClc1cccc2c3c([nH]c12)CCN(Cc1cc2n(n1)CCCNC2)C3
InChIInChI=1S/C19H22ClN5/c20-17-4-1-3-15-16-12-24(8-5-18(16)22-19(15)17)11-13-9-14-10-21-6-2-7-25(14)23-13/h1,3-4,9,21-22H,2,5-8,10-12H2
InChIKeyFGQZXJYJEGBIAF-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.07
Rot. Bonds2

About 6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole

6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 56913961) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID56913961
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESClc1cccc2c3c([nH]c12)CCN(Cc1cc2n(n1)CCCNC2)C3
InChIInChI=1S/C19H22ClN5/c20-17-4-1-3-15-16-12-24(8-5-18(16)22-19(15)17)11-13-9-14-10-21-6-2-7-25(14)23-13/h1,3-4,9,21-22H,2,5-8,10-12H2
InChIKeyFGQZXJYJEGBIAF-UHFFFAOYSA-N
XLogP3.07
TPSA48.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole 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 6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 56913961) is 6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is Clc1cccc2c3c([nH]c12)CCN(Cc1cc2n(n1)CCCNC2)C3.
What is the InChIKey of 6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is FGQZXJYJEGBIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c20-17-4-1-3-15-16-12-24(8-5-18(16)22-19(15)17)11-13-9-14-10-21-6-2-7-25(14)23-13/h1,3-4,9,21-22H,2,5-8,10-12H2.
What are the key properties of 6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 355.87 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 56913961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).