1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine

C20H18N4O2 — CID 118488349

IUPAC1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine
SMILESCOc1cc(Oc2nccn3cccc23)ccc1-c1c(C)cnnc1C
InChIInChI=1S/C20H18N4O2/c1-13-12-22-23-14(2)19(13)16-7-6-15(11-18(16)25-3)26-20-17-5-4-9-24(17)10-8-21-20/h4-12H,1-3H3
InChIKeyLLACCCLPTJHPMW-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.21
Rot. Bonds4

About 1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine

1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine (PubChem CID 118488349) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine
PubChem CID118488349
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine
SMILESCOc1cc(Oc2nccn3cccc23)ccc1-c1c(C)cnnc1C
InChIInChI=1S/C20H18N4O2/c1-13-12-22-23-14(2)19(13)16-7-6-15(11-18(16)25-3)26-20-17-5-4-9-24(17)10-8-21-20/h4-12H,1-3H3
InChIKeyLLACCCLPTJHPMW-UHFFFAOYSA-N
XLogP4.21
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
CID 53466370
5-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466375
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine
CID 53466458
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
CID 53466460
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine
CID 53466462
tert-butyl (3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 130247785
1-[(3R)-3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247799
1-Methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine
CID 90718236
7-Methoxy-4-((5-phenyl-[1,2,3]triazolo[1,5-a]pyridin-3-yl)methoxy)quinoline
CID 57691340
(R)-1-(3-(3-(4-(2-fluoro-3-methoxyphenoxy)phenyl)-7-propoxy-1H-pyrazolo[4,3-c]pyridin-1-yl)piperidin-1-yl)prop-2-en-1-one
CID 130247054
3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine
CID 130248068
(R)-1-(3-(7-ethoxy-3-(4-(2-fluoro-3-methoxyphenoxy)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)piperidin-1-yl)prop-2-en-1-one
CID 139465224

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine (CID 118488349) is 1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine is COc1cc(Oc2nccn3cccc23)ccc1-c1c(C)cnnc1C.
What is the InChIKey of 1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine?
The InChIKey is LLACCCLPTJHPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-12-22-23-14(2)19(13)16-7-6-15(11-18(16)25-3)26-20-17-5-4-9-24(17)10-8-21-20/h4-12H,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine?
1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine has a molecular weight of 346.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpyridazin-4-yl)-3-methoxyphenoxy]pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 118488349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).