3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine

C18H19BrN4 — CID 166364161

IUPAC3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine
SMILESCn1nc(Br)c2c(NCc3ccc4c(c3)CCNC4)cccc21
InChIInChI=1S/C18H19BrN4/c1-23-16-4-2-3-15(17(16)18(19)22-23)21-10-12-5-6-14-11-20-8-7-13(14)9-12/h2-6,9,20-21H,7-8,10-11H2,1H3
InChIKeyKTIPIWOBRPNFKN-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.59
Rot. Bonds3

About 3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine

3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine (PubChem CID 166364161) has the molecular formula C18H19BrN4 and a molecular weight of 371.28 g/mol. Its IUPAC name is 3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine.

Molecular Properties

Compound Name3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine
PubChem CID166364161
Molecular FormulaC18H19BrN4
Molecular Weight371.28 g/mol
Exact Mass370.08
IUPAC Name3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine
SMILESCn1nc(Br)c2c(NCc3ccc4c(c3)CCNC4)cccc21
InChIInChI=1S/C18H19BrN4/c1-23-16-4-2-3-15(17(16)18(19)22-23)21-10-12-5-6-14-11-20-8-7-13(14)9-12/h2-6,9,20-21H,7-8,10-11H2,1H3
InChIKeyKTIPIWOBRPNFKN-UHFFFAOYSA-N
XLogP3.59
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine?
The IUPAC name of 3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine (CID 166364161) is 3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine.
What is the SMILES notation for 3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine?
The canonical SMILES for 3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine is Cn1nc(Br)c2c(NCc3ccc4c(c3)CCNC4)cccc21.
What is the InChIKey of 3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine?
The InChIKey is KTIPIWOBRPNFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4/c1-23-16-4-2-3-15(17(16)18(19)22-23)21-10-12-5-6-14-11-20-8-7-13(14)9-12/h2-6,9,20-21H,7-8,10-11H2,1H3.
What are the key properties of 3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine?
3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine has a molecular weight of 371.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)indazol-4-amine is sourced from PubChem (CID 166364161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).