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

C19H21FN2O — CID 54232251

IUPAC[7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
SMILESCCc1ccc2c(C(C)C)c(CO)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C19H21FN2O/c1-4-15-9-10-17-18(12(2)3)16(11-23)19(21-22(15)17)13-5-7-14(20)8-6-13/h5-10,12,23H,4,11H2,1-3H3
InChIKeyQKCGHHGYCTXHHQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.32
Rot. Bonds4

About [7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol

[7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol (PubChem CID 54232251) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is [7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
PubChem CID54232251
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name[7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
SMILESCCc1ccc2c(C(C)C)c(CO)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C19H21FN2O/c1-4-15-9-10-17-18(12(2)3)16(11-23)19(21-22(15)17)13-5-7-14(20)8-6-13/h5-10,12,23H,4,11H2,1-3H3
InChIKeyQKCGHHGYCTXHHQ-UHFFFAOYSA-N
XLogP4.32
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol
CID 67920917
ethyl 2-[7-ethyl-2,4-bis(4-fluorophenyl)pyrrolo[1,2-b]pyridazin-3-yl]hexanoate
CID 141095727
[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
CID 44595748
2-(4-fluorophenyl)-7-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carbaldehyde
CID 88510440
7-bromo-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carbaldehyde
CID 54501632
(E)-7-[2-(4-fluorophenyl)-4-propan-2-yl-7-prop-2-enylpyrrolo[1,2-b]pyridazin-3-yl]-5-hydroxy-3-oxohept-6-enoic acid
CID 67920856
(E)-7-[2-(4-fluorophenyl)-4,7-di(propan-2-yl)pyrrolo[1,2-b]pyridazin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 67920882
[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol
CID 83500614
ethyl 2-(4-fluorophenyl)-5,7-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
CID 54289817
(E)-7-[2-(4-fluorophenyl)-7-methylsulfanyl-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]-5-hydroxy-3-oxohept-6-enoic acid
CID 67921030
[5-(4-fluorophenyl)-3-methylimidazol-4-yl]methanol
CID 10560192
[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095873

Frequently Asked Questions

What is the IUPAC name of [7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol?
The IUPAC name of [7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol (CID 54232251) is [7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol.
What is the SMILES notation for [7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol?
The canonical SMILES for [7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol is CCc1ccc2c(C(C)C)c(CO)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of [7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol?
The InChIKey is QKCGHHGYCTXHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-4-15-9-10-17-18(12(2)3)16(11-23)19(21-22(15)17)13-5-7-14(20)8-6-13/h5-10,12,23H,4,11H2,1-3H3.
What are the key properties of [7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol?
[7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol has a molecular weight of 312.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethyl-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]methanol is sourced from PubChem (CID 54232251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).