tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate

C24H27FN2O3 — CID 164740642

IUPACtert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate
SMILESC=C(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C24H27FN2O3/c1-14(15-6-7-15)19-12-18-21(20(26-19)16-8-10-17(25)11-9-16)29-13-24(18,5)27-22(28)30-23(2,3)4/h8-12,15H,1,6-7,13H2,2-5H3,(H,27,28)/t24-/m0/s1
InChIKeyONQWSRITQJKJIJ-DEOSSOPVSA-N
MW410.49 g/mol
LogP5.44
Rot. Bonds4

About tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate

tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate (PubChem CID 164740642) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate
PubChem CID164740642
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Nametert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate
SMILESC=C(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C24H27FN2O3/c1-14(15-6-7-15)19-12-18-21(20(26-19)16-8-10-17(25)11-9-16)29-13-24(18,5)27-22(28)30-23(2,3)4/h8-12,15H,1,6-7,13H2,2-5H3,(H,27,28)/t24-/m0/s1
InChIKeyONQWSRITQJKJIJ-DEOSSOPVSA-N
XLogP5.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine
CID 156872917
(3S)-7-(4-fluorophenyl)-3-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)-2H-furo[2,3-c]pyridine
CID 163265806
N-[(2R)-2-[(3S)-3-(carbamoylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 122502953
(4R)-4-[(3S)-7-(4-fluorophenyl)-3-(hydroxyamino)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one
CID 162172091
(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
4-(2-hydroxyethylamino)-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-methylpropyl]benzamide
CID 139332023
tert-butyl N-[8-chloro-4-methyl-6-(2-methyloxiran-2-yl)-2,3-dihydropyrano[2,3-c]pyridin-4-yl]carbamate
CID 122501479
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
2,2,2-trifluoro-1-[7-(4-fluorophenyl)-3-(iodomethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethanol
CID 156872788
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
(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate (CID 164740642) is tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate is C=C(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate?
The InChIKey is ONQWSRITQJKJIJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-14(15-6-7-15)19-12-18-21(20(26-19)16-8-10-17(25)11-9-16)29-13-24(18,5)27-22(28)30-23(2,3)4/h8-12,15H,1,6-7,13H2,2-5H3,(H,27,28)/t24-/m0/s1.
What are the key properties of tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate?
tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate has a molecular weight of 410.49 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-5-(1-cyclopropylethenyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate is sourced from PubChem (CID 164740642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).