1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine

C22H37N5 — CID 3021349

IUPAC1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine
SMILESCCN(CC)CCCn1nc(NCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C22H37N5/c1-3-25(4-2)18-11-19-27-21-13-7-6-12-20(21)22(24-27)23-14-10-17-26-15-8-5-9-16-26/h6-7,12-13H,3-5,8-11,14-19H2,1-2H3,(H,23,24)
InChIKeySEBAJLQGRQSPRQ-UHFFFAOYSA-N
MW371.57 g/mol
LogP4.06
Rot. Bonds11

About 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine

1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine (PubChem CID 3021349) has the molecular formula C22H37N5 and a molecular weight of 371.57 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine
PubChem CID3021349
Molecular FormulaC22H37N5
Molecular Weight371.57 g/mol
Exact Mass371.30
IUPAC Name1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine
SMILESCCN(CC)CCCn1nc(NCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C22H37N5/c1-3-25(4-2)18-11-19-27-21-13-7-6-12-20(21)22(24-27)23-14-10-17-26-15-8-5-9-16-26/h6-7,12-13H,3-5,8-11,14-19H2,1-2H3,(H,23,24)
InChIKeySEBAJLQGRQSPRQ-UHFFFAOYSA-N
XLogP4.06
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
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 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine?
The IUPAC name of 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine (CID 3021349) is 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine?
The canonical SMILES for 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine is CCN(CC)CCCn1nc(NCCCN2CCCCC2)c2ccccc21.
What is the InChIKey of 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine?
The InChIKey is SEBAJLQGRQSPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5/c1-3-25(4-2)18-11-19-27-21-13-7-6-12-20(21)22(24-27)23-14-10-17-26-15-8-5-9-16-26/h6-7,12-13H,3-5,8-11,14-19H2,1-2H3,(H,23,24).
What are the key properties of 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine?
1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine has a molecular weight of 371.57 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine is sourced from PubChem (CID 3021349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).