8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one

C16H14BrN5O — CID 154681906

IUPAC8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one
SMILESCn1ccc(Cn2ncc3c4cc(Br)ccc4n(C)c3c2=O)n1
InChIInChI=1S/C16H14BrN5O/c1-20-6-5-11(19-20)9-22-16(23)15-13(8-18-22)12-7-10(17)3-4-14(12)21(15)2/h3-8H,9H2,1-2H3
InChIKeyOXURECNOXTUATI-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.43
Rot. Bonds2

About 8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one

8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one (PubChem CID 154681906) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one
PubChem CID154681906
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one
SMILESCn1ccc(Cn2ncc3c4cc(Br)ccc4n(C)c3c2=O)n1
InChIInChI=1S/C16H14BrN5O/c1-20-6-5-11(19-20)9-22-16(23)15-13(8-18-22)12-7-10(17)3-4-14(12)21(15)2/h3-8H,9H2,1-2H3
InChIKeyOXURECNOXTUATI-UHFFFAOYSA-N
XLogP2.43
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-indazol-4-ylmethyl)-5-methyl-7-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one
CID 162683580
7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 170028345
5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 82872876
7-(bromomethyl)-8-fluoro-5-methyl-3-[(6-methyl-2-pyridinyl)methyl]pyridazino[4,5-b]indol-4-one
CID 162683498
5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82875940
3-[(3-methoxyphenyl)methyl]-5-methyl-8-(trifluoromethyl)pyridazino[4,5-b]indol-4-one
CID 154681762
5-[2-aminoethyl(methyl)amino]-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103223454
3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 114761326
1-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869984
6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 116788287
1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone
CID 130566886
4-bromo-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 44543602

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one?
The IUPAC name of 8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one (CID 154681906) is 8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one is Cn1ccc(Cn2ncc3c4cc(Br)ccc4n(C)c3c2=O)n1.
What is the InChIKey of 8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one?
The InChIKey is OXURECNOXTUATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-20-6-5-11(19-20)9-22-16(23)15-13(8-18-22)12-7-10(17)3-4-14(12)21(15)2/h3-8H,9H2,1-2H3.
What are the key properties of 8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one?
8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one has a molecular weight of 372.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 154681906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).