2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol

C23H23N5O2 — CID 168895497

IUPAC2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol
SMILESCCOc1cc(-c2ccc(-c3ccc(C4CNC4)nn3)c(O)c2)cc2cn(C)nc12
InChIInChI=1S/C23H23N5O2/c1-3-30-22-10-15(8-16-13-28(2)27-23(16)22)14-4-5-18(21(29)9-14)20-7-6-19(25-26-20)17-11-24-12-17/h4-10,13,17,24,29H,3,11-12H2,1-2H3
InChIKeyBIAPQPSJKDCYHH-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.49
Rot. Bonds5

About 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol

2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol (PubChem CID 168895497) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol.

Molecular Properties

Compound Name2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol
PubChem CID168895497
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol
SMILESCCOc1cc(-c2ccc(-c3ccc(C4CNC4)nn3)c(O)c2)cc2cn(C)nc12
InChIInChI=1S/C23H23N5O2/c1-3-30-22-10-15(8-16-13-28(2)27-23(16)22)14-4-5-18(21(29)9-14)20-7-6-19(25-26-20)17-11-24-12-17/h4-10,13,17,24,29H,3,11-12H2,1-2H3
InChIKeyBIAPQPSJKDCYHH-UHFFFAOYSA-N
XLogP3.49
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[1-(2,2-dimethylpropyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol
CID 168895492
2-[6-[1-(3-ethoxycyclobutyl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol
CID 168895364
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane
CID 168895712
5-(7-methoxy-2-methylindazol-5-yl)-2-[6-[1-(3-methylcyclopentyl)azetidin-3-yl]pyridazin-3-yl]phenol
CID 168895661
2-[6-[1-(1-cyclopropylpyrrolidin-3-yl)azetidin-3-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)phenol
CID 168895512
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyridin-6-yl)phenol;hydrochloride
CID 168895636
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-imidazo[1,2-a]pyridin-6-ylphenol
CID 168895672
5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol
CID 168895654
2-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-methoxy-2-methylindazol-5-yl)pyridin-3-ol;dihydrochloride
CID 169079942
5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
CID 156887542
5-(7-methoxy-2-methylindazol-5-yl)-2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]pyridin-3-ol
CID 165083380
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-methylazetidin-3-yl)pyridazin-3-yl]phenol
CID 168895423

Frequently Asked Questions

What is the IUPAC name of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol?
The IUPAC name of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol (CID 168895497) is 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol.
What is the SMILES notation for 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol?
The canonical SMILES for 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol is CCOc1cc(-c2ccc(-c3ccc(C4CNC4)nn3)c(O)c2)cc2cn(C)nc12.
What is the InChIKey of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol?
The InChIKey is BIAPQPSJKDCYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-3-30-22-10-15(8-16-13-28(2)27-23(16)22)14-4-5-18(21(29)9-14)20-7-6-19(25-26-20)17-11-24-12-17/h4-10,13,17,24,29H,3,11-12H2,1-2H3.
What are the key properties of 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol?
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol has a molecular weight of 401.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(7-ethoxy-2-methylindazol-5-yl)phenol is sourced from PubChem (CID 168895497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).