methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate

C18H26N4O2 — CID 118313374

IUPACmethyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc(C(C)NC2CC2)c2cccc(C)c21
InChIInChI=1S/C18H26N4O2/c1-12-6-4-7-15-16(13(2)20-14-8-9-14)21-22(17(12)15)11-5-10-19-18(23)24-3/h4,6-7,13-14,20H,5,8-11H2,1-3H3,(H,19,23)
InChIKeyOTQHQYRSHZQBOZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.90
Rot. Bonds7

About methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate

methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate (PubChem CID 118313374) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate
PubChem CID118313374
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Namemethyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc(C(C)NC2CC2)c2cccc(C)c21
InChIInChI=1S/C18H26N4O2/c1-12-6-4-7-15-16(13(2)20-14-8-9-14)21-22(17(12)15)11-5-10-19-18(23)24-3/h4,6-7,13-14,20H,5,8-11H2,1-3H3,(H,19,23)
InChIKeyOTQHQYRSHZQBOZ-UHFFFAOYSA-N
XLogP2.90
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate (CID 118313374) is methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate is COC(=O)NCCCn1nc(C(C)NC2CC2)c2cccc(C)c21.
What is the InChIKey of methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate?
The InChIKey is OTQHQYRSHZQBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-6-4-7-15-16(13(2)20-14-8-9-14)21-22(17(12)15)11-5-10-19-18(23)24-3/h4,6-7,13-14,20H,5,8-11H2,1-3H3,(H,19,23).
What are the key properties of methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate?
methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-7-methylindazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).