N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide

C23H26N4O2 — CID 70754999

IUPACN-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)C1CCC1
InChIInChI=1S/C23H26N4O2/c28-23(18-8-4-9-18)24-22-21-19(26-12-14-29-15-13-26)10-5-11-20(21)27(25-22)16-17-6-2-1-3-7-17/h1-3,5-7,10-11,18H,4,8-9,12-16H2,(H,24,25,28)
InChIKeyHJQXDJDJQVWJMA-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.66
Rot. Bonds5

About N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide

N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide (PubChem CID 70754999) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide
PubChem CID70754999
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)C1CCC1
InChIInChI=1S/C23H26N4O2/c28-23(18-8-4-9-18)24-22-21-19(26-12-14-29-15-13-26)10-5-11-20(21)27(25-22)16-17-6-2-1-3-7-17/h1-3,5-7,10-11,18H,4,8-9,12-16H2,(H,24,25,28)
InChIKeyHJQXDJDJQVWJMA-UHFFFAOYSA-N
XLogP3.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide?
The IUPAC name of N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide (CID 70754999) is N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide is O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)C1CCC1.
What is the InChIKey of N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide?
The InChIKey is HJQXDJDJQVWJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(18-8-4-9-18)24-22-21-19(26-12-14-29-15-13-26)10-5-11-20(21)27(25-22)16-17-6-2-1-3-7-17/h1-3,5-7,10-11,18H,4,8-9,12-16H2,(H,24,25,28).
What are the key properties of N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide?
N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)cyclobutanecarboxamide is sourced from PubChem (CID 70754999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).