5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline

C17H16ClN3 — CID 56873864

IUPAC5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1nc(-c2cccc3c2CCNC3)c2c(Cl)cccc21
InChIInChI=1S/C17H16ClN3/c1-21-15-7-3-6-14(18)16(15)17(20-21)13-5-2-4-11-10-19-9-8-12(11)13/h2-7,19H,8-10H2,1H3
InChIKeyANSMPCMVHRMQDF-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.54
Rot. Bonds1

About 5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline

5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 56873864) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID56873864
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1nc(-c2cccc3c2CCNC3)c2c(Cl)cccc21
InChIInChI=1S/C17H16ClN3/c1-21-15-7-3-6-14(18)16(15)17(20-21)13-5-2-4-11-10-19-9-8-12(11)13/h2-7,19H,8-10H2,1H3
InChIKeyANSMPCMVHRMQDF-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 652880
1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 53324535
1-[(4-chloro-1-methyl-1H-indazol-3-yl)methyl]azepan-3-amine
CID 70709825
N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine
CID 59514208
4-[1-(3-Chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine
CID 11315219
1-(3-(Methylamino)-propyl)-5-methyl-3-phenyl-1H-indazole
CID 194125
5-(2-Chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158659
2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 22914822
2-(4-Chlorobenzyl)-3-(4-methylphenyl)-2H-indazole
CID 11631344
2-(3-Chlorobenzyl)-3-(4-methylphenyl)-2H-indazole
CID 11702722
5-(2-Chloro-6-fluorophenyl)-2,9-dimethyl-3,5-dihydropyrazolo[1,5-c]quinazoline
CID 4102795
5-(5-fluoro-1-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 56865514

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 56873864) is 5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is Cn1nc(-c2cccc3c2CCNC3)c2c(Cl)cccc21.
What is the InChIKey of 5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ANSMPCMVHRMQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-21-15-7-3-6-14(18)16(15)17(20-21)13-5-2-4-11-10-19-9-8-12(11)13/h2-7,19H,8-10H2,1H3.
What are the key properties of 5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 297.79 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 56873864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).