(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide

C22H20F5N3O4 — CID 170973009

IUPAC(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc4c(=O)[nH]ccn34)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H20F5N3O4/c1-10-15(11-4-5-12(23)16(24)17(11)33-3)18(34-21(10,2)22(25,26)27)20(32)29-14-7-6-13-19(31)28-8-9-30(13)14/h4-10,15,18H,1-3H3,(H,28,31)(H,29,32)/t10-,15-,18+,21+/m0/s1
InChIKeyPOLMBTAOVJGYMK-TZDAZOALSA-N
MW485.41 g/mol
LogP3.99
Rot. Bonds4

About (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 170973009) has the molecular formula C22H20F5N3O4 and a molecular weight of 485.41 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID170973009
Molecular FormulaC22H20F5N3O4
Molecular Weight485.41 g/mol
Exact Mass485.14
IUPAC Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc4c(=O)[nH]ccn34)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H20F5N3O4/c1-10-15(11-4-5-12(23)16(24)17(11)33-3)18(34-21(10,2)22(25,26)27)20(32)29-14-7-6-13-19(31)28-8-9-30(13)14/h4-10,15,18H,1-3H3,(H,28,31)(H,29,32)/t10-,15-,18+,21+/m0/s1
InChIKeyPOLMBTAOVJGYMK-TZDAZOALSA-N
XLogP3.99
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Related Compounds

(2R,3S,4S,5R)-N-(2-aminopyrimidin-5-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 170959238
(2R,3S,4S,5R)-N-(6-bromo-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211949
(2R,3S,4S,5R)-N-(1-acetylpiperidin-4-yl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160803
(2S,3R,4R,5S)-N-(2-amino-4-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 176882162
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167212379
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(5-nitro-2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 178077957
6-[[(2S,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyrazine-2-carboxamide
CID 169046585
2-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-1,3-thiazole-4-carboxamide
CID 177305849
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160235
6-[[(2S,3S,4R,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169047170
4-[[(2R,3S,4R,5S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-3-fluoropyridine-2-carboxamide
CID 169047173
4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]benzene-1,2-dicarboxamide
CID 170972721

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (CID 170973009) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccc4c(=O)[nH]ccn34)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)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is POLMBTAOVJGYMK-TZDAZOALSA-N. The full InChI is InChI=1S/C22H20F5N3O4/c1-10-15(11-4-5-12(23)16(24)17(11)33-3)18(34-21(10,2)22(25,26)27)20(32)29-14-7-6-13-19(31)28-8-9-30(13)14/h4-10,15,18H,1-3H3,(H,28,31)(H,29,32)/t10-,15-,18+,21+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 485.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 170973009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).