7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C14H12BrClF2N4S — CID 178114155

IUPAC7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFCCCc1c(F)c2c(NCc3cccs3)nc(Cl)nn2c1Br
InChIInChI=1S/C14H12BrClF2N4S/c15-12-9(4-1-5-17)10(18)11-13(20-14(16)21-22(11)12)19-7-8-3-2-6-23-8/h2-3,6H,1,4-5,7H2,(H,19,20,21)
InChIKeyJWMPFJHHKMENPA-UHFFFAOYSA-N
MW421.70 g/mol
LogP4.86
Rot. Bonds6

About 7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 178114155) has the molecular formula C14H12BrClF2N4S and a molecular weight of 421.70 g/mol. Its IUPAC name is 7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID178114155
Molecular FormulaC14H12BrClF2N4S
Molecular Weight421.70 g/mol
Exact Mass419.96
IUPAC Name7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFCCCc1c(F)c2c(NCc3cccs3)nc(Cl)nn2c1Br
InChIInChI=1S/C14H12BrClF2N4S/c15-12-9(4-1-5-17)10(18)11-13(20-14(16)21-22(11)12)19-7-8-3-2-6-23-8/h2-3,6H,1,4-5,7H2,(H,19,20,21)
InChIKeyJWMPFJHHKMENPA-UHFFFAOYSA-N
XLogP4.86
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.70
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2,7-dichloro-5-fluoro-N-(thiophen-2-ylmethyl)-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114135
2,7-dichloro-5-fluoro-6-[3-(1-fluorocyclopropyl)propyl]-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114133
tert-butyl N-[(2R,3S)-1-[7-bromo-2-chloro-5-fluoro-4-(thiophen-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3-fluorobutan-2-yl]carbamate
CID 178114123
7-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[4-(trifluoromethoxy)butyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114304
6-[(2R)-2-amino-4,4,4-trifluorobutyl]-2,7-dichloro-5-methyl-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114266
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
2-chloro-4-(thiophen-2-ylmethylamino)quinazolin-8-ol
CID 171561925
7-bromo-2-chloro-6-(4,4-difluorocyclohexyl)-5-methyl-N-(thiophen-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine
CID 178113919
6-bromo-2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114610
6-chloro-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729925
2,7-dichloro-5-fluoro-6-(3-fluorobutyl)-N-(1,3-oxazol-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114530
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 178114155) is 7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is FCCCc1c(F)c2c(NCc3cccs3)nc(Cl)nn2c1Br.
What is the InChIKey of 7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is JWMPFJHHKMENPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClF2N4S/c15-12-9(4-1-5-17)10(18)11-13(20-14(16)21-22(11)12)19-7-8-3-2-6-23-8/h2-3,6H,1,4-5,7H2,(H,19,20,21).
What are the key properties of 7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 421.70 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 178114155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).