7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one

C25H18FN5O2 — CID 162683809

IUPAC7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one
SMILESCn1c2cc(Oc3ccccc3F)ccc2c2cnn(Cc3cccc4[nH]ncc34)c(=O)c21
InChIInChI=1S/C25H18FN5O2/c1-30-22-11-16(33-23-8-3-2-6-20(23)26)9-10-17(22)19-13-28-31(25(32)24(19)30)14-15-5-4-7-21-18(15)12-27-29-21/h2-13H,14H2,1H3,(H,27,29)
InChIKeyCDSIIBWLJRYNCP-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.74
Rot. Bonds4

About 7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one

7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one (PubChem CID 162683809) has the molecular formula C25H18FN5O2 and a molecular weight of 439.45 g/mol. Its IUPAC name is 7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one
PubChem CID162683809
Molecular FormulaC25H18FN5O2
Molecular Weight439.45 g/mol
Exact Mass439.14
IUPAC Name7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one
SMILESCn1c2cc(Oc3ccccc3F)ccc2c2cnn(Cc3cccc4[nH]ncc34)c(=O)c21
InChIInChI=1S/C25H18FN5O2/c1-30-22-11-16(33-23-8-3-2-6-20(23)26)9-10-17(22)19-13-28-31(25(32)24(19)30)14-15-5-4-7-21-18(15)12-27-29-21/h2-13H,14H2,1H3,(H,27,29)
InChIKeyCDSIIBWLJRYNCP-UHFFFAOYSA-N
XLogP4.74
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one (CID 162683809) is 7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one is Cn1c2cc(Oc3ccccc3F)ccc2c2cnn(Cc3cccc4[nH]ncc34)c(=O)c21.
What is the InChIKey of 7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one?
The InChIKey is CDSIIBWLJRYNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O2/c1-30-22-11-16(33-23-8-3-2-6-20(23)26)9-10-17(22)19-13-28-31(25(32)24(19)30)14-15-5-4-7-21-18(15)12-27-29-21/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of 7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one?
7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one has a molecular weight of 439.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 162683809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).