3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine

C18H20F2N8 — CID 170642898

IUPAC3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCN1CCC(F)(F)C1.Cc1nc(N)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C13H11N7.C5H9F2N/c1-8-11-10(2-4-20(11)18-12(14)17-8)9-6-16-13-15-3-5-19(13)7-9;1-8-3-2-5(6,7)4-8/h2-7H,1H3,(H2,14,18);2-4H2,1H3
InChIKeyFTMYHIAOJLNBGT-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.29
Rot. Bonds1

About 3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine

3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170642898) has the molecular formula C18H20F2N8 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170642898
Molecular FormulaC18H20F2N8
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCN1CCC(F)(F)C1.Cc1nc(N)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C13H11N7.C5H9F2N/c1-8-11-10(2-4-20(11)18-12(14)17-8)9-6-16-13-15-3-5-19(13)7-9;1-8-3-2-5(6,7)4-8/h2-7H,1H3,(H2,14,18);2-4H2,1H3
InChIKeyFTMYHIAOJLNBGT-UHFFFAOYSA-N
XLogP2.29
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine with MolForge

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Related Compounds

6-fluoro-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642635
ethane;N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine;propane
CID 170641793
N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170657515
cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone
CID 177156880
1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone
CID 170641808
1-[(3S,4R)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 170641792
N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642705
4-methyl-5-[3-[(2S)-1,1,1-trifluoropropan-2-yl]benzotriazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 177156930
3,3-difluoro-1-methylpiperidine;5-[3-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;ethane
CID 178000949
5-[3-(2,2-difluoroethyl)imidazo[1,2-b]pyridazin-6-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;3,3-difluoro-1-methylpiperidine
CID 178000980
4-methyl-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;pentane
CID 170642172
(3S,4R)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 174160058

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170642898) is 3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine is CN1CCC(F)(F)C1.Cc1nc(N)nn2ccc(-c3cnc4nccn4c3)c12.
What is the InChIKey of 3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is FTMYHIAOJLNBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7.C5H9F2N/c1-8-11-10(2-4-20(11)18-12(14)17-8)9-6-16-13-15-3-5-19(13)7-9;1-8-3-2-5(6,7)4-8/h2-7H,1H3,(H2,14,18);2-4H2,1H3.
What are the key properties of 3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 386.41 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpyrrolidine;5-imidazo[1,2-a]pyrimidin-6-yl-4-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170642898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).