6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole

C18H20ClN5 — CID 56884120

IUPAC6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESClc1cccc2c3c([nH]c12)CCN(Cc1cc2n(n1)CCNC2)C3
InChIInChI=1S/C18H20ClN5/c19-16-3-1-2-14-15-11-23(6-4-17(15)21-18(14)16)10-12-8-13-9-20-5-7-24(13)22-12/h1-3,8,20-21H,4-7,9-11H2
InChIKeyGQQFVIKFUYXSEI-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.68
Rot. Bonds2

About 6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole

6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 56884120) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID56884120
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESClc1cccc2c3c([nH]c12)CCN(Cc1cc2n(n1)CCNC2)C3
InChIInChI=1S/C18H20ClN5/c19-16-3-1-2-14-15-11-23(6-4-17(15)21-18(14)16)10-12-8-13-9-20-5-7-24(13)22-12/h1-3,8,20-21H,4-7,9-11H2
InChIKeyGQQFVIKFUYXSEI-UHFFFAOYSA-N
XLogP2.68
TPSA48.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-chloropyridazin-3-yl)-1H-indole
CID 2763611
[3-(3-Benzyl-8-chlorocinnolin-4-yl)phenyl][(1-methyl-1H-indol-2-yl)methyl]amine
CID 11855082
5-chloro-3-[6-(5-chloro-1H-indol-3-yl)pyridazin-3-yl]-1H-indole
CID 134399462
2-[[1-(2-Chlorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141756420
2-[[1-(4-Chlorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141756424
2H,6H-Pyrido(1'',2'':3',4')imidazo(1',5':1,2)pyrido(3,4-b)indole, 1,3,4,8,9,14,14b,14c-octahydro-6-(3-chlorophenyl)-
CID 494830
18-Chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14783701
1-tert-butyl-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16187824
1-cyclohexyl-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16191309
6-chloro-2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 56913961
2-[[1-(2,5-Dichlorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 155528800
2-[[1-(3-Chlorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 155556936

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 56884120) is 6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is Clc1cccc2c3c([nH]c12)CCN(Cc1cc2n(n1)CCNC2)C3.
What is the InChIKey of 6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is GQQFVIKFUYXSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c19-16-3-1-2-14-15-11-23(6-4-17(15)21-18(14)16)10-12-8-13-9-20-5-7-24(13)22-12/h1-3,8,20-21H,4-7,9-11H2.
What are the key properties of 6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole?
6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 341.85 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 56884120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).