7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline

C23H23F2N5 — CID 146585416

IUPAC7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline
SMILESCCN1CCC(c2cc(F)c3cc(-c4cc(F)c5nn(C)cc5c4)nnc3c2)CC1
InChIInChI=1S/C23H23F2N5/c1-3-30-6-4-14(5-7-30)15-9-19(24)18-12-21(26-27-22(18)11-15)16-8-17-13-29(2)28-23(17)20(25)10-16/h8-14H,3-7H2,1-2H3
InChIKeyPZWDMJLQEBXIJE-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.66
Rot. Bonds3

About 7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline

7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline (PubChem CID 146585416) has the molecular formula C23H23F2N5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline.

Molecular Properties

Compound Name7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline
PubChem CID146585416
Molecular FormulaC23H23F2N5
Molecular Weight407.47 g/mol
Exact Mass407.19
IUPAC Name7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline
SMILESCCN1CCC(c2cc(F)c3cc(-c4cc(F)c5nn(C)cc5c4)nnc3c2)CC1
InChIInChI=1S/C23H23F2N5/c1-3-30-6-4-14(5-7-30)15-9-19(24)18-12-21(26-27-22(18)11-15)16-8-17-13-29(2)28-23(17)20(25)10-16/h8-14H,3-7H2,1-2H3
InChIKeyPZWDMJLQEBXIJE-UHFFFAOYSA-N
XLogP4.66
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline?
The IUPAC name of 7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline (CID 146585416) is 7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline.
What is the SMILES notation for 7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline?
The canonical SMILES for 7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline is CCN1CCC(c2cc(F)c3cc(-c4cc(F)c5nn(C)cc5c4)nnc3c2)CC1.
What is the InChIKey of 7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline?
The InChIKey is PZWDMJLQEBXIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5/c1-3-30-6-4-14(5-7-30)15-9-19(24)18-12-21(26-27-22(18)11-15)16-8-17-13-29(2)28-23(17)20(25)10-16/h8-14H,3-7H2,1-2H3.
What are the key properties of 7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline?
7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline has a molecular weight of 407.47 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpiperidin-4-yl)-5-fluoro-3-(7-fluoro-2-methylindazol-5-yl)cinnoline is sourced from PubChem (CID 146585416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).