1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine

C20H18ClN5 — CID 118663560

IUPAC1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCc1cccc(-n2ncc3c(Cl)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C20H18ClN5/c1-12-5-3-8-20(24-12)26-19-10-14(9-16(21)15(19)11-23-26)18-7-4-6-17(25-18)13(2)22/h3-11,13H,22H2,1-2H3
InChIKeyLNHBVDYXDJZRHO-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.46
Rot. Bonds3

About 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine

1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 118663560) has the molecular formula C20H18ClN5 and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID118663560
Molecular FormulaC20H18ClN5
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCc1cccc(-n2ncc3c(Cl)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C20H18ClN5/c1-12-5-3-8-20(24-12)26-19-10-14(9-16(21)15(19)11-23-26)18-7-4-6-17(25-18)13(2)22/h3-11,13H,22H2,1-2H3
InChIKeyLNHBVDYXDJZRHO-UHFFFAOYSA-N
XLogP4.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine (CID 118663560) is 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine is Cc1cccc(-n2ncc3c(Cl)cc(-c4cccc(C(C)N)n4)cc32)n1.
What is the InChIKey of 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is LNHBVDYXDJZRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5/c1-12-5-3-8-20(24-12)26-19-10-14(9-16(21)15(19)11-23-26)18-7-4-6-17(25-18)13(2)22/h3-11,13H,22H2,1-2H3.
What are the key properties of 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 363.85 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 118663560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).