[4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol

C17H18ClN3O2 — CID 68802811

IUPAC[4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol
SMILESCCc1ccc2c(-c3cncc(Cl)c3)c(CO)c(COC)nn12
InChIInChI=1S/C17H18ClN3O2/c1-3-13-4-5-16-17(11-6-12(18)8-19-7-11)14(9-22)15(10-23-2)20-21(13)16/h4-8,22H,3,9-10H2,1-2H3
InChIKeyPIGQJSIRSWEXSH-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.25
Rot. Bonds5

About [4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol

[4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol (PubChem CID 68802811) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is [4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol
PubChem CID68802811
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name[4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol
SMILESCCc1ccc2c(-c3cncc(Cl)c3)c(CO)c(COC)nn12
InChIInChI=1S/C17H18ClN3O2/c1-3-13-4-5-16-17(11-6-12(18)8-19-7-11)14(9-22)15(10-23-2)20-21(13)16/h4-8,22H,3,9-10H2,1-2H3
InChIKeyPIGQJSIRSWEXSH-UHFFFAOYSA-N
XLogP3.25
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol with MolForge

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Related Compounds

{3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-6-yl}-methanol
CID 44372296
TK9Msv53AD
CID 10360713
{4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-3-yl}-methanol
CID 11078813
[2-(2-Chloro-4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
CID 54454730
[2-(3-Chloro-4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
CID 67920772
[5-Chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
CID 67920917
3-(2-chloro-4-pyridinyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 134202315
5-[7-Ethyl-2-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 10022728
5-[4-(5-Chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid
CID 10046643
4-[4-(5-Chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]butanoic acid
CID 10340197
4-[4-(5-Chloro-3-pyridinyl)-7-ethyl-2-(pyridin-4-ylmethoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]butanoic acid
CID 10367206
[1-(4-Chlorophenyl)-3-(2-chloro-3-pyridinyl)-5-(hydroxymethyl)pyrazol-4-yl]methanol
CID 54062335

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol?
The IUPAC name of [4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol (CID 68802811) is [4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol.
What is the SMILES notation for [4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol?
The canonical SMILES for [4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol is CCc1ccc2c(-c3cncc(Cl)c3)c(CO)c(COC)nn12.
What is the InChIKey of [4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol?
The InChIKey is PIGQJSIRSWEXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-3-13-4-5-16-17(11-6-12(18)8-19-7-11)14(9-22)15(10-23-2)20-21(13)16/h4-8,22H,3,9-10H2,1-2H3.
What are the key properties of [4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol?
[4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol has a molecular weight of 331.80 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-3-pyridinyl)-7-ethyl-2-(methoxymethyl)pyrrolo[1,2-b]pyridazin-3-yl]methanol is sourced from PubChem (CID 68802811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).