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2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide

C28H26F5N3O5 — CID 162459410

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
SMILESCOc1c(OC2CC2)ccc(C(N)=O)c1C[C@](C)(O)c1cc2c(c(-c3ccc(F)c(F)c3)n1)OC[C@@]2(N)C(F)(F)F
InChIInChI=1S/C28H26F5N3O5/c1-26(38,11-16-15(25(34)37)6-8-20(23(16)39-2)41-14-4-5-14)21-10-17-24(40-12-27(17,35)28(31,32)33)22(36-21)13-3-7-18(29)19(30)9-13/h3,6-10,14,38H,4-5,11-12,35H2,1-2H3,(H2,34,37)/t26-,27-/m0/s1
InChIKeyLCEVLQMGQIUZKW-SVBPBHIXSA-N
MW579.52 g/mol
LogP4.23
Rot. Bonds8

About 2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide

2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide (PubChem CID 162459410) has the molecular formula C28H26F5N3O5 and a molecular weight of 579.52 g/mol. Its IUPAC name is 2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide.

Molecular Properties

Compound Name2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
PubChem CID162459410
Molecular FormulaC28H26F5N3O5
Molecular Weight579.52 g/mol
Exact Mass579.18
IUPAC Name2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
SMILESCOc1c(OC2CC2)ccc(C(N)=O)c1C[C@](C)(O)c1cc2c(c(-c3ccc(F)c(F)c3)n1)OC[C@@]2(N)C(F)(F)F
InChIInChI=1S/C28H26F5N3O5/c1-26(38,11-16-15(25(34)37)6-8-20(23(16)39-2)41-14-4-5-14)21-10-17-24(40-12-27(17,35)28(31,32)33)22(36-21)13-3-7-18(29)19(30)9-13/h3,6-10,14,38H,4-5,11-12,35H2,1-2H3,(H2,34,37)/t26-,27-/m0/s1
InChIKeyLCEVLQMGQIUZKW-SVBPBHIXSA-N
XLogP4.23
TPSA129.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.52
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide?
The IUPAC name of 2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide (CID 162459410) is 2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide.
What is the SMILES notation for 2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide?
The canonical SMILES for 2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide is COc1c(OC2CC2)ccc(C(N)=O)c1C[C@](C)(O)c1cc2c(c(-c3ccc(F)c(F)c3)n1)OC[C@@]2(N)C(F)(F)F.
What is the InChIKey of 2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide?
The InChIKey is LCEVLQMGQIUZKW-SVBPBHIXSA-N. The full InChI is InChI=1S/C28H26F5N3O5/c1-26(38,11-16-15(25(34)37)6-8-20(23(16)39-2)41-14-4-5-14)21-10-17-24(40-12-27(17,35)28(31,32)33)22(36-21)13-3-7-18(29)19(30)9-13/h3,6-10,14,38H,4-5,11-12,35H2,1-2H3,(H2,34,37)/t26-,27-/m0/s1.
What are the key properties of 2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide?
2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide has a molecular weight of 579.52 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide is sourced from PubChem (CID 162459410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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