N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide

C22H21N5O2 — CID 70786273

IUPACN-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)c1cccnn1)nn2Cc1ccccc1
InChIInChI=1S/C22H21N5O2/c1-15(2)29-19-12-6-11-18-20(19)21(24-22(28)17-10-7-13-23-25-17)26-27(18)14-16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3,(H,24,26,28)
InChIKeyRXZLZWODXKDKJX-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.91
Rot. Bonds6

About N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide

N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide (PubChem CID 70786273) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide
PubChem CID70786273
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)c1cccnn1)nn2Cc1ccccc1
InChIInChI=1S/C22H21N5O2/c1-15(2)29-19-12-6-11-18-20(19)21(24-22(28)17-10-7-13-23-25-17)26-27(18)14-16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3,(H,24,26,28)
InChIKeyRXZLZWODXKDKJX-UHFFFAOYSA-N
XLogP3.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide (CID 70786273) is N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide is CC(C)Oc1cccc2c1c(NC(=O)c1cccnn1)nn2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide?
The InChIKey is RXZLZWODXKDKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15(2)29-19-12-6-11-18-20(19)21(24-22(28)17-10-7-13-23-25-17)26-27(18)14-16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3,(H,24,26,28).
What are the key properties of N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide?
N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 70786273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).