(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide

C20H22F5N3O3 — CID 166161025

IUPAC(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)N[C@@H](C)c3ccn[nH]3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C20H22F5N3O3/c1-9-14(11-5-6-12(21)15(22)16(11)30-4)17(31-19(9,3)20(23,24)25)18(29)27-10(2)13-7-8-26-28-13/h5-10,14,17H,1-4H3,(H,26,28)(H,27,29)/t9-,10-,14-,17+,19+/m0/s1
InChIKeyVWMQNGYNSFBTHT-GJHJFNQVSA-N
MW447.40 g/mol
LogP4.01
Rot. Bonds5

About (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166161025) has the molecular formula C20H22F5N3O3 and a molecular weight of 447.40 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166161025
Molecular FormulaC20H22F5N3O3
Molecular Weight447.40 g/mol
Exact Mass447.16
IUPAC Name(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)N[C@@H](C)c3ccn[nH]3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C20H22F5N3O3/c1-9-14(11-5-6-12(21)15(22)16(11)30-4)17(31-19(9,3)20(23,24)25)18(29)27-10(2)13-7-8-26-28-13/h5-10,14,17H,1-4H3,(H,26,28)(H,27,29)/t9-,10-,14-,17+,19+/m0/s1
InChIKeyVWMQNGYNSFBTHT-GJHJFNQVSA-N
XLogP4.01
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Related Compounds

4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-(1H-pyrazol-4-ylmethoxy)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 166159921
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160161
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160190
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160222
(2R,3S,4S,5R)-3-[3,4-difluoro-2-(3-hydroxycyclobutyl)oxyphenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160256
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-methoxyethoxy)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160257
(2R,3S,4S,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160333
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(hydroxymethyl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160354
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160373
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160415
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]oxolane-2-carboxamide
CID 166160462
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-(2-hydroxypropan-2-yl)pyridazin-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160486

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166161025) is (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-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-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)N[C@@H](C)c3ccn[nH]3)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-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is VWMQNGYNSFBTHT-GJHJFNQVSA-N. The full InChI is InChI=1S/C20H22F5N3O3/c1-9-14(11-5-6-12(21)15(22)16(11)30-4)17(31-19(9,3)20(23,24)25)18(29)27-10(2)13-7-8-26-28-13/h5-10,14,17H,1-4H3,(H,26,28)(H,27,29)/t9-,10-,14-,17+,19+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 447.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166161025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).