4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole

C17H17N5O2 — CID 6410719

IUPAC4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole
SMILESCOc1cc2[nH]c3c(-n4nc(C)cc4C)nncc3c2cc1OC
InChIInChI=1S/C17H17N5O2/c1-9-5-10(2)22(21-9)17-16-12(8-18-20-17)11-6-14(23-3)15(24-4)7-13(11)19-16/h5-8,19H,1-4H3
InChIKeyWERBZNIGUCHJMW-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.93
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole

4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole (PubChem CID 6410719) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole
PubChem CID6410719
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole
SMILESCOc1cc2[nH]c3c(-n4nc(C)cc4C)nncc3c2cc1OC
InChIInChI=1S/C17H17N5O2/c1-9-5-10(2)22(21-9)17-16-12(8-18-20-17)11-6-14(23-3)15(24-4)7-13(11)19-16/h5-8,19H,1-4H3
InChIKeyWERBZNIGUCHJMW-UHFFFAOYSA-N
XLogP2.93
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole (CID 6410719) is 4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole is COc1cc2[nH]c3c(-n4nc(C)cc4C)nncc3c2cc1OC.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole?
The InChIKey is WERBZNIGUCHJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-9-5-10(2)22(21-9)17-16-12(8-18-20-17)11-6-14(23-3)15(24-4)7-13(11)19-16/h5-8,19H,1-4H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole?
4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole has a molecular weight of 323.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole is sourced from PubChem (CID 6410719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).