6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine

C16H19Cl2N5 — CID 170609989

IUPAC6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine
SMILESCCNc1cc(Cl)c(Cl)c2c1c(C1=CNNC1)c1n2CCNC1
InChIInChI=1S/C16H19Cl2N5/c1-2-20-11-5-10(17)15(18)16-14(11)13(9-6-21-22-7-9)12-8-19-3-4-23(12)16/h5-6,19-22H,2-4,7-8H2,1H3
InChIKeyCQHGUUNQKZKCSA-UHFFFAOYSA-N
MW352.27 g/mol
LogP2.93
Rot. Bonds3

About 6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine

6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine (PubChem CID 170609989) has the molecular formula C16H19Cl2N5 and a molecular weight of 352.27 g/mol. Its IUPAC name is 6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine.

Molecular Properties

Compound Name6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine
PubChem CID170609989
Molecular FormulaC16H19Cl2N5
Molecular Weight352.27 g/mol
Exact Mass351.10
IUPAC Name6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine
SMILESCCNc1cc(Cl)c(Cl)c2c1c(C1=CNNC1)c1n2CCNC1
InChIInChI=1S/C16H19Cl2N5/c1-2-20-11-5-10(17)15(18)16-14(11)13(9-6-21-22-7-9)12-8-19-3-4-23(12)16/h5-6,19-22H,2-4,7-8H2,1H3
InChIKeyCQHGUUNQKZKCSA-UHFFFAOYSA-N
XLogP2.93
TPSA53.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine with MolForge

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Related Compounds

US20230391786, Example 244
CID 170795261
US20230391786, Example 254
CID 170426980
US20230391786, Example 255
CID 170427598
US20230391786, Example 37
CID 170427637
US20230391786, Example 116
CID 170795225
6,7-Dichloro-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 16064377
6,7-Dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
CID 22338093
6,7-Dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 22338094
7,8-Dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 22595916
7,8-Dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
CID 22595945
(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
CID 68889184
(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 68889185

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine?
The IUPAC name of 6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine (CID 170609989) is 6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine.
What is the SMILES notation for 6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine?
The canonical SMILES for 6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine is CCNc1cc(Cl)c(Cl)c2c1c(C1=CNNC1)c1n2CCNC1.
What is the InChIKey of 6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine?
The InChIKey is CQHGUUNQKZKCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5/c1-2-20-11-5-10(17)15(18)16-14(11)13(9-6-21-22-7-9)12-8-19-3-4-23(12)16/h5-6,19-22H,2-4,7-8H2,1H3.
What are the key properties of 6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine?
6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine has a molecular weight of 352.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine is sourced from PubChem (CID 170609989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).