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

C23H39N5 — CID 3021352

IUPAC1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine
SMILESCCN(CC)CCCn1nc(NCCC(C)N2CCCCC2)c2ccccc21
InChIInChI=1S/C23H39N5/c1-4-26(5-2)16-11-19-28-22-13-8-7-12-21(22)23(25-28)24-15-14-20(3)27-17-9-6-10-18-27/h7-8,12-13,20H,4-6,9-11,14-19H2,1-3H3,(H,24,25)
InChIKeyQYLRPDMRBDMYHV-UHFFFAOYSA-N
MW385.60 g/mol
LogP4.44
Rot. Bonds11

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

1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine (PubChem CID 3021352) has the molecular formula C23H39N5 and a molecular weight of 385.60 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine
PubChem CID3021352
Molecular FormulaC23H39N5
Molecular Weight385.60 g/mol
Exact Mass385.32
IUPAC Name1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine
SMILESCCN(CC)CCCn1nc(NCCC(C)N2CCCCC2)c2ccccc21
InChIInChI=1S/C23H39N5/c1-4-26(5-2)16-11-19-28-22-13-8-7-12-21(22)23(25-28)24-15-14-20(3)27-17-9-6-10-18-27/h7-8,12-13,20H,4-6,9-11,14-19H2,1-3H3,(H,24,25)
InChIKeyQYLRPDMRBDMYHV-UHFFFAOYSA-N
XLogP4.44
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine?
The IUPAC name of 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine (CID 3021352) is 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine?
The canonical SMILES for 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine is CCN(CC)CCCn1nc(NCCC(C)N2CCCCC2)c2ccccc21.
What is the InChIKey of 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine?
The InChIKey is QYLRPDMRBDMYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5/c1-4-26(5-2)16-11-19-28-22-13-8-7-12-21(22)23(25-28)24-15-14-20(3)27-17-9-6-10-18-27/h7-8,12-13,20H,4-6,9-11,14-19H2,1-3H3,(H,24,25).
What are the key properties of 1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine?
1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylbutyl)indazol-3-amine has a molecular weight of 385.60 g/mol, XLogP of 4.44, 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-ylbutyl)indazol-3-amine is sourced from PubChem (CID 3021352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).