5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole

C26H23N5O2 — CID 134493002

IUPAC5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole
SMILESCc1ccc(OC2CC(Oc3ccc(-c4ccc5c6cnccc6n(C)c5c4)cn3)C2)nn1
InChIInChI=1S/C26H23N5O2/c1-16-3-7-26(30-29-16)33-20-12-19(13-20)32-25-8-5-18(14-28-25)17-4-6-21-22-15-27-10-9-23(22)31(2)24(21)11-17/h3-11,14-15,19-20H,12-13H2,1-2H3
InChIKeyCIVJKALOZVROEQ-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.88
Rot. Bonds5

About 5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole

5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole (PubChem CID 134493002) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole
PubChem CID134493002
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole
SMILESCc1ccc(OC2CC(Oc3ccc(-c4ccc5c6cnccc6n(C)c5c4)cn3)C2)nn1
InChIInChI=1S/C26H23N5O2/c1-16-3-7-26(30-29-16)33-20-12-19(13-20)32-25-8-5-18(14-28-25)17-4-6-21-22-15-27-10-9-23(22)31(2)24(21)11-17/h3-11,14-15,19-20H,12-13H2,1-2H3
InChIKeyCIVJKALOZVROEQ-UHFFFAOYSA-N
XLogP4.88
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole (CID 134493002) is 5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole is Cc1ccc(OC2CC(Oc3ccc(-c4ccc5c6cnccc6n(C)c5c4)cn3)C2)nn1.
What is the InChIKey of 5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is CIVJKALOZVROEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-16-3-7-26(30-29-16)33-20-12-19(13-20)32-25-8-5-18(14-28-25)17-4-6-21-22-15-27-10-9-23(22)31(2)24(21)11-17/h3-11,14-15,19-20H,12-13H2,1-2H3.
What are the key properties of 5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole?
5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 437.50 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 134493002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).