N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide

C29H23F7N4O5 — CID 163786741

IUPACN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@@]4(N)C(F)(F)F)C(F)(F)F)cc(OC)c2c1
InChIInChI=1S/C29H23F7N4O5/c1-43-16-7-8-19-17(9-16)21(44-2)11-20(39-19)25(41)38-12-27(42,29(34,35)36)22-10-18-24(45-13-26(18,37)28(31,32)33)23(40-22)14-3-5-15(30)6-4-14/h3-11,42H,12-13,37H2,1-2H3,(H,38,41)/t26-,27-/m0/s1
InChIKeyMTFASZQPIJFQQX-SVBPBHIXSA-N
MW640.51 g/mol
LogP4.74
Rot. Bonds7

About N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide

N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide (PubChem CID 163786741) has the molecular formula C29H23F7N4O5 and a molecular weight of 640.51 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]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide
PubChem CID163786741
Molecular FormulaC29H23F7N4O5
Molecular Weight640.51 g/mol
Exact Mass640.16
IUPAC NameN-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@@]4(N)C(F)(F)F)C(F)(F)F)cc(OC)c2c1
InChIInChI=1S/C29H23F7N4O5/c1-43-16-7-8-19-17(9-16)21(44-2)11-20(39-19)25(41)38-12-27(42,29(34,35)36)22-10-18-24(45-13-26(18,37)28(31,32)33)23(40-22)14-3-5-15(30)6-4-14/h3-11,42H,12-13,37H2,1-2H3,(H,38,41)/t26-,27-/m0/s1
InChIKeyMTFASZQPIJFQQX-SVBPBHIXSA-N
XLogP4.74
TPSA128.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.51
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide?
The IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide (CID 163786741) is N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide.
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]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide?
The canonical SMILES for N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide is COc1ccc2nc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@@]4(N)C(F)(F)F)C(F)(F)F)cc(OC)c2c1.
What is the InChIKey of N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide?
The InChIKey is MTFASZQPIJFQQX-SVBPBHIXSA-N. The full InChI is InChI=1S/C29H23F7N4O5/c1-43-16-7-8-19-17(9-16)21(44-2)11-20(39-19)25(41)38-12-27(42,29(34,35)36)22-10-18-24(45-13-26(18,37)28(31,32)33)23(40-22)14-3-5-15(30)6-4-14/h3-11,42H,12-13,37H2,1-2H3,(H,38,41)/t26-,27-/m0/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]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide?
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide has a molecular weight of 640.51 g/mol, XLogP of 4.74, 7 rotatable bonds, 3 hydrogen bond donors, and 8 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]-3,3,3-trifluoro-2-hydroxypropyl]-4,6-dimethoxyquinoline-2-carboxamide is sourced from PubChem (CID 163786741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).