4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol

C20H18FN5O3 — CID 143075161

IUPAC4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol
SMILESCOCc1nn(-c2ccc(-c3cc(F)ccc3O)nc2)n1-c1ccc(OC)nc1
InChIInChI=1S/C20H18FN5O3/c1-28-12-19-24-26(25(19)14-5-8-20(29-2)23-10-14)15-4-6-17(22-11-15)16-9-13(21)3-7-18(16)27/h3-11,27H,12H2,1-2H3
InChIKeyTVPNPAOWGDFCRQ-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.12
Rot. Bonds6

About 4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol

4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol (PubChem CID 143075161) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol
PubChem CID143075161
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol
SMILESCOCc1nn(-c2ccc(-c3cc(F)ccc3O)nc2)n1-c1ccc(OC)nc1
InChIInChI=1S/C20H18FN5O3/c1-28-12-19-24-26(25(19)14-5-8-20(29-2)23-10-14)15-4-6-17(22-11-15)16-9-13(21)3-7-18(16)27/h3-11,27H,12H2,1-2H3
InChIKeyTVPNPAOWGDFCRQ-UHFFFAOYSA-N
XLogP3.12
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol?
The IUPAC name of 4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol (CID 143075161) is 4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol?
The canonical SMILES for 4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol is COCc1nn(-c2ccc(-c3cc(F)ccc3O)nc2)n1-c1ccc(OC)nc1.
What is the InChIKey of 4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol?
The InChIKey is TVPNPAOWGDFCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-28-12-19-24-26(25(19)14-5-8-20(29-2)23-10-14)15-4-6-17(22-11-15)16-9-13(21)3-7-18(16)27/h3-11,27H,12H2,1-2H3.
What are the key properties of 4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol?
4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol has a molecular weight of 395.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[5-[4-(methoxymethyl)-1-(6-methoxy-3-pyridinyl)triazet-2-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 143075161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).