(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C27H30F6N4O4 — CID 166159443

IUPAC(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccnc(C(=O)N4CC(N(C)C)[C@H](F)C4)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C27H30F6N4O4/c1-13-20(15-6-7-16(28)21(30)22(15)40-5)23(41-26(13,2)27(31,32)33)24(38)35-14-8-9-34-18(10-14)25(39)37-11-17(29)19(12-37)36(3)4/h6-10,13,17,19-20,23H,11-12H2,1-5H3,(H,34,35,38)/t13-,17+,19?,20-,23+,26+/m0/s1
InChIKeyHAVYUTSRGWAINN-HGROFZJESA-N
MW588.55 g/mol
LogP4.17
Rot. Bonds6

About (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166159443) has the molecular formula C27H30F6N4O4 and a molecular weight of 588.55 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166159443
Molecular FormulaC27H30F6N4O4
Molecular Weight588.55 g/mol
Exact Mass588.22
IUPAC Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccnc(C(=O)N4CC(N(C)C)[C@H](F)C4)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C27H30F6N4O4/c1-13-20(15-6-7-16(28)21(30)22(15)40-5)23(41-26(13,2)27(31,32)33)24(38)35-14-8-9-34-18(10-14)25(39)37-11-17(29)19(12-37)36(3)4/h6-10,13,17,19-20,23H,11-12H2,1-5H3,(H,34,35,38)/t13-,17+,19?,20-,23+,26+/m0/s1
InChIKeyHAVYUTSRGWAINN-HGROFZJESA-N
XLogP4.17
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-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 (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166159443) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccnc(C(=O)N4CC(N(C)C)[C@H](F)C4)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.
What is the InChIKey of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is HAVYUTSRGWAINN-HGROFZJESA-N. The full InChI is InChI=1S/C27H30F6N4O4/c1-13-20(15-6-7-16(28)21(30)22(15)40-5)23(41-26(13,2)27(31,32)33)24(38)35-14-8-9-34-18(10-14)25(39)37-11-17(29)19(12-37)36(3)4/h6-10,13,17,19-20,23H,11-12H2,1-5H3,(H,34,35,38)/t13-,17+,19?,20-,23+,26+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 588.55 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(4R)-3-(dimethylamino)-4-fluoropyrrolidine-1-carbonyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166159443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).