2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol

C19H17BrF2N4O — CID 151634728

IUPAC2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol
SMILESOC(CC1=CCN(c2ncnn3cc(Br)cc23)CC1)c1ccc(F)cc1F
InChIInChI=1S/C19H17BrF2N4O/c20-13-8-17-19(23-11-24-26(17)10-13)25-5-3-12(4-6-25)7-18(27)15-2-1-14(21)9-16(15)22/h1-3,8-11,18,27H,4-7H2
InChIKeyQRGKFGIRLRIDNG-UHFFFAOYSA-N
MW435.27 g/mol
LogP4.03
Rot. Bonds4

About 2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol

2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol (PubChem CID 151634728) has the molecular formula C19H17BrF2N4O and a molecular weight of 435.27 g/mol. Its IUPAC name is 2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol
PubChem CID151634728
Molecular FormulaC19H17BrF2N4O
Molecular Weight435.27 g/mol
Exact Mass434.06
IUPAC Name2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol
SMILESOC(CC1=CCN(c2ncnn3cc(Br)cc23)CC1)c1ccc(F)cc1F
InChIInChI=1S/C19H17BrF2N4O/c20-13-8-17-19(23-11-24-26(17)10-13)25-5-3-12(4-6-25)7-18(27)15-2-1-14(21)9-16(15)22/h1-3,8-11,18,27H,4-7H2
InChIKeyQRGKFGIRLRIDNG-UHFFFAOYSA-N
XLogP4.03
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol (CID 151634728) is 2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol is OC(CC1=CCN(c2ncnn3cc(Br)cc23)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is QRGKFGIRLRIDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF2N4O/c20-13-8-17-19(23-11-24-26(17)10-13)25-5-3-12(4-6-25)7-18(27)15-2-1-14(21)9-16(15)22/h1-3,8-11,18,27H,4-7H2.
What are the key properties of 2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol?
2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 435.27 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 151634728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).