5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine

C16H23ClN4 — CID 70352726

IUPAC5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
SMILESCC1CCN(CCCNc2n[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C16H23ClN4/c1-12-5-9-21(10-6-12)8-2-7-18-16-14-11-13(17)3-4-15(14)19-20-16/h3-4,11-12H,2,5-10H2,1H3,(H2,18,19,20)
InChIKeyMYONCFDLCXOXCO-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.75
Rot. Bonds5

About 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine

5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine (PubChem CID 70352726) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
PubChem CID70352726
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
SMILESCC1CCN(CCCNc2n[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C16H23ClN4/c1-12-5-9-21(10-6-12)8-2-7-18-16-14-11-13(17)3-4-15(14)19-20-16/h3-4,11-12H,2,5-10H2,1H3,(H2,18,19,20)
InChIKeyMYONCFDLCXOXCO-UHFFFAOYSA-N
XLogP3.75
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
The IUPAC name of 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine (CID 70352726) is 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
The canonical SMILES for 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine is CC1CCN(CCCNc2n[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
The InChIKey is MYONCFDLCXOXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-12-5-9-21(10-6-12)8-2-7-18-16-14-11-13(17)3-4-15(14)19-20-16/h3-4,11-12H,2,5-10H2,1H3,(H2,18,19,20).
What are the key properties of 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine?
5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine has a molecular weight of 306.84 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine is sourced from PubChem (CID 70352726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).