N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide

C32H31F4N3O5 — CID 165436687

IUPACN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1ccc(OC3CC3)c(OC3CC3)c1)C1CC1)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H31F4N3O5/c33-20-6-1-17(2-7-20)27-28-23(31(37,16-42-28)32(34,35)36)14-26(39-27)30(41,19-4-5-19)15-38-29(40)18-3-12-24(43-21-8-9-21)25(13-18)44-22-10-11-22/h1-3,6-7,12-14,19,21-22,41H,4-5,8-11,15-16,37H2,(H,38,40)/t30-,31+/m1/s1
InChIKeyVOYPDJSEOPAVND-JSOSNVBQSA-N
MW613.61 g/mol
LogP5.11
Rot. Bonds10

About N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide

N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide (PubChem CID 165436687) has the molecular formula C32H31F4N3O5 and a molecular weight of 613.61 g/mol. Its IUPAC name is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide
PubChem CID165436687
Molecular FormulaC32H31F4N3O5
Molecular Weight613.61 g/mol
Exact Mass613.22
IUPAC NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1ccc(OC3CC3)c(OC3CC3)c1)C1CC1)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H31F4N3O5/c33-20-6-1-17(2-7-20)27-28-23(31(37,16-42-28)32(34,35)36)14-26(39-27)30(41,19-4-5-19)15-38-29(40)18-3-12-24(43-21-8-9-21)25(13-18)44-22-10-11-22/h1-3,6-7,12-14,19,21-22,41H,4-5,8-11,15-16,37H2,(H,38,40)/t30-,31+/m1/s1
InChIKeyVOYPDJSEOPAVND-JSOSNVBQSA-N
XLogP5.11
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.61
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide with MolForge

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Related Compounds

N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide
CID 166680777
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide
CID 166688364
2-amino-N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-1,3-benzothiazole-6-carboxamide
CID 166688128
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 167023976
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-1,3-benzoxazole-6-carboxamide
CID 166688164
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-methoxyquinoline-6-carboxamide
CID 166680706
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-methoxy-1,3-benzoxazole-6-carboxamide
CID 166688108
N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 166688293
N-[2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 166667153
N-[(2S)-2-[(3R)-3-azido-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 171406019
4-cyclopropyloxy-N-[2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 167023665
4-cyclopropyloxy-N-[(2S)-2-[(3R)-7-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 167023914

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide?
The IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide (CID 165436687) is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide.
What is the SMILES notation for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide?
The canonical SMILES for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide is N[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1ccc(OC3CC3)c(OC3CC3)c1)C1CC1)nc2-c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide?
The InChIKey is VOYPDJSEOPAVND-JSOSNVBQSA-N. The full InChI is InChI=1S/C32H31F4N3O5/c33-20-6-1-17(2-7-20)27-28-23(31(37,16-42-28)32(34,35)36)14-26(39-27)30(41,19-4-5-19)15-38-29(40)18-3-12-24(43-21-8-9-21)25(13-18)44-22-10-11-22/h1-3,6-7,12-14,19,21-22,41H,4-5,8-11,15-16,37H2,(H,38,40)/t30-,31+/m1/s1.
What are the key properties of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide?
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide has a molecular weight of 613.61 g/mol, XLogP of 5.11, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide is sourced from PubChem (CID 165436687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).