N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide

C23H37N5O — CID 15435295

IUPACN-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide
SMILESCCCCN1CCN(CCNC(=O)c2nn(C(CC)CC)c3ccccc23)CC1
InChIInChI=1S/C23H37N5O/c1-4-7-13-26-15-17-27(18-16-26)14-12-24-23(29)22-20-10-8-9-11-21(20)28(25-22)19(5-2)6-3/h8-11,19H,4-7,12-18H2,1-3H3,(H,24,29)
InChIKeyMKWZQYWICZRXTB-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.54
Rot. Bonds10

About N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide

N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide (PubChem CID 15435295) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide
PubChem CID15435295
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC NameN-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide
SMILESCCCCN1CCN(CCNC(=O)c2nn(C(CC)CC)c3ccccc23)CC1
InChIInChI=1S/C23H37N5O/c1-4-7-13-26-15-17-27(18-16-26)14-12-24-23(29)22-20-10-8-9-11-21(20)28(25-22)19(5-2)6-3/h8-11,19H,4-7,12-18H2,1-3H3,(H,24,29)
InChIKeyMKWZQYWICZRXTB-UHFFFAOYSA-N
XLogP3.54
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide?
The IUPAC name of N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide (CID 15435295) is N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide?
The canonical SMILES for N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide is CCCCN1CCN(CCNC(=O)c2nn(C(CC)CC)c3ccccc23)CC1.
What is the InChIKey of N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide?
The InChIKey is MKWZQYWICZRXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O/c1-4-7-13-26-15-17-27(18-16-26)14-12-24-23(29)22-20-10-8-9-11-21(20)28(25-22)19(5-2)6-3/h8-11,19H,4-7,12-18H2,1-3H3,(H,24,29).
What are the key properties of N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide?
N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide is sourced from PubChem (CID 15435295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).