2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride

C15H18Cl4N4 — CID 23134513

IUPAC2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
SMILESCC(C)(N)c1cnc(-c2ccc3[nH]ncc3c2)c(Cl)c1.Cl.Cl.Cl
InChIInChI=1S/C15H15ClN4.3ClH/c1-15(2,17)11-6-12(16)14(18-8-11)9-3-4-13-10(5-9)7-19-20-13;;;/h3-8H,17H2,1-2H3,(H,19,20);3*1H
InChIKeyHEAVEYQWVUUNFS-UHFFFAOYSA-N
MW396.15 g/mol
LogP4.74
Rot. Bonds2

About 2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride

2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride (PubChem CID 23134513) has the molecular formula C15H18Cl4N4 and a molecular weight of 396.15 g/mol. Its IUPAC name is 2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride.

Molecular Properties

Compound Name2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
PubChem CID23134513
Molecular FormulaC15H18Cl4N4
Molecular Weight396.15 g/mol
Exact Mass394.03
IUPAC Name2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
SMILESCC(C)(N)c1cnc(-c2ccc3[nH]ncc3c2)c(Cl)c1.Cl.Cl.Cl
InChIInChI=1S/C15H15ClN4.3ClH/c1-15(2,17)11-6-12(16)14(18-8-11)9-3-4-13-10(5-9)7-19-20-13;;;/h3-8H,17H2,1-2H3,(H,19,20);3*1H
InChIKeyHEAVEYQWVUUNFS-UHFFFAOYSA-N
XLogP4.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.15
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride?
The IUPAC name of 2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride (CID 23134513) is 2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride.
What is the SMILES notation for 2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride?
The canonical SMILES for 2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride is CC(C)(N)c1cnc(-c2ccc3[nH]ncc3c2)c(Cl)c1.Cl.Cl.Cl.
What is the InChIKey of 2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride?
The InChIKey is HEAVEYQWVUUNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4.3ClH/c1-15(2,17)11-6-12(16)14(18-8-11)9-3-4-13-10(5-9)7-19-20-13;;;/h3-8H,17H2,1-2H3,(H,19,20);3*1H.
What are the key properties of 2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride?
2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride has a molecular weight of 396.15 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-(1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride is sourced from PubChem (CID 23134513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).