3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol

C17H17F4N3O3 — CID 145146088

IUPAC3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(N)CO)C(F)(F)F
InChIInChI=1S/C17H17F4N3O3/c18-10-3-1-9(2-4-10)13-14-11(15(23,7-25)8-27-14)5-12(24-13)16(26,6-22)17(19,20)21/h1-5,25-26H,6-8,22-23H2
InChIKeyFWWWYZTYKUJRPZ-UHFFFAOYSA-N
MW387.33 g/mol
LogP1.13
Rot. Bonds4

About 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol

3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 145146088) has the molecular formula C17H17F4N3O3 and a molecular weight of 387.33 g/mol. Its IUPAC name is 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID145146088
Molecular FormulaC17H17F4N3O3
Molecular Weight387.33 g/mol
Exact Mass387.12
IUPAC Name3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(N)CO)C(F)(F)F
InChIInChI=1S/C17H17F4N3O3/c18-10-3-1-9(2-4-10)13-14-11(15(23,7-25)8-27-14)5-12(24-13)16(26,6-22)17(19,20)21/h1-5,25-26H,6-8,22-23H2
InChIKeyFWWWYZTYKUJRPZ-UHFFFAOYSA-N
XLogP1.13
TPSA114.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

3-amino-1,1,1-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
CID 166783129
(2S)-3-amino-1,1,1-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
CID 156872640
(2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 122501499
(3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile
CID 166783367
N-[2-[(3S)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 134323035
(2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol
CID 156872879
N-[(3R)-7-(4-fluorophenyl)-5-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
CID 166680757
(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxylic acid
CID 156872655
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 122503109
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethylamino)-3-methoxybenzamide
CID 122503296
N-[2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-5-(2-hydroxyethoxy)-4-methoxypyridine-2-carboxamide
CID 139332085
(3R)-N-(2,2-difluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-(fluoroamino)-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 156872805

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol (CID 145146088) is 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol is NCC(O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(N)CO)C(F)(F)F.
What is the InChIKey of 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is FWWWYZTYKUJRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O3/c18-10-3-1-9(2-4-10)13-14-11(15(23,7-25)8-27-14)5-12(24-13)16(26,6-22)17(19,20)21/h1-5,25-26H,6-8,22-23H2.
What are the key properties of 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 387.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 145146088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).