[5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol

C17H16ClFN2O — CID 67920917

IUPAC[5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
SMILESCC(C)c1c(CO)c(-c2ccc(F)cc2)nn2ccc(Cl)c12
InChIInChI=1S/C17H16ClFN2O/c1-10(2)15-13(9-22)16(11-3-5-12(19)6-4-11)20-21-8-7-14(18)17(15)21/h3-8,10,22H,9H2,1-2H3
InChIKeyQKYCPHKNMMACEZ-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.41
Rot. Bonds3

About [5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol

[5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol (PubChem CID 67920917) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is [5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
PubChem CID67920917
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name[5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
SMILESCC(C)c1c(CO)c(-c2ccc(F)cc2)nn2ccc(Cl)c12
InChIInChI=1S/C17H16ClFN2O/c1-10(2)15-13(9-22)16(11-3-5-12(19)6-4-11)20-21-8-7-14(18)17(15)21/h3-8,10,22H,9H2,1-2H3
InChIKeyQKYCPHKNMMACEZ-UHFFFAOYSA-N
XLogP4.41
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
CID 54232251
[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
CID 44595748
[4-(4-fluorophenyl)-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl]methanol
CID 59179363
2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 91887239
2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91913703
N-(3-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91887268
2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide
CID 91903896
N-butyl-N-ethyl-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91893925
[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095873
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894143
N-[(4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)-2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91894137
1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene
CID 54148188

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol?
The IUPAC name of [5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol (CID 67920917) is [5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol.
What is the SMILES notation for [5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol?
The canonical SMILES for [5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol is CC(C)c1c(CO)c(-c2ccc(F)cc2)nn2ccc(Cl)c12.
What is the InChIKey of [5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol?
The InChIKey is QKYCPHKNMMACEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c1-10(2)15-13(9-22)16(11-3-5-12(19)6-4-11)20-21-8-7-14(18)17(15)21/h3-8,10,22H,9H2,1-2H3.
What are the key properties of [5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol?
[5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol has a molecular weight of 318.78 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol is sourced from PubChem (CID 67920917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).