2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C26H21N5O2 — CID 21001865

IUPAC2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc3cn[nH]c3c2)c1=O
InChIInChI=1S/C26H21N5O2/c1-2-31-26(33)23(25(32)28-20-14-13-19-16-27-29-21(19)15-20)22(17-9-5-3-6-10-17)24(30-31)18-11-7-4-8-12-18/h3-16H,2H2,1H3,(H,27,29)(H,28,32)
InChIKeyDQZHNWPPGDZDTO-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.73
Rot. Bonds5

About 2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide

2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 21001865) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID21001865
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Name2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc3cn[nH]c3c2)c1=O
InChIInChI=1S/C26H21N5O2/c1-2-31-26(33)23(25(32)28-20-14-13-19-16-27-29-21(19)15-20)22(17-9-5-3-6-10-17)24(30-31)18-11-7-4-8-12-18/h3-16H,2H2,1H3,(H,27,29)(H,28,32)
InChIKeyDQZHNWPPGDZDTO-UHFFFAOYSA-N
XLogP4.73
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of 2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 21001865) is 2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide is CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc3cn[nH]c3c2)c1=O.
What is the InChIKey of 2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is DQZHNWPPGDZDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-2-31-26(33)23(25(32)28-20-14-13-19-16-27-29-21(19)15-20)22(17-9-5-3-6-10-17)24(30-31)18-11-7-4-8-12-18/h3-16H,2H2,1H3,(H,27,29)(H,28,32).
What are the key properties of 2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 21001865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).