(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C24H27F7N4O3 — CID 167212395

IUPAC(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1CN1CCOCC1
InChIInChI=1S/C24H27F7N4O3/c1-12-18(14-4-5-16(25)19(26)15(14)10-34-6-8-37-9-7-34)20(38-23(12,3)24(29,30)31)21(36)32-17-11-35(22(27)28)33-13(17)2/h4-5,11-12,18,20,22H,6-10H2,1-3H3,(H,32,36)/t12-,18-,20+,23+/m0/s1
InChIKeyYEOKSSNXJJDEQG-USZFSJBGSA-N
MW552.49 g/mol
LogP4.78
Rot. Bonds6

About (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 167212395) has the molecular formula C24H27F7N4O3 and a molecular weight of 552.49 g/mol. Its IUPAC name is (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID167212395
Molecular FormulaC24H27F7N4O3
Molecular Weight552.49 g/mol
Exact Mass552.20
IUPAC Name(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1CN1CCOCC1
InChIInChI=1S/C24H27F7N4O3/c1-12-18(14-4-5-16(25)19(26)15(14)10-34-6-8-37-9-7-34)20(38-23(12,3)24(29,30)31)21(36)32-17-11-35(22(27)28)33-13(17)2/h4-5,11-12,18,20,22H,6-10H2,1-3H3,(H,32,36)/t12-,18-,20+,23+/m0/s1
InChIKeyYEOKSSNXJJDEQG-USZFSJBGSA-N
XLogP4.78
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 167212395) is (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is Cc1nn(C(F)F)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1CN1CCOCC1.
What is the InChIKey of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is YEOKSSNXJJDEQG-USZFSJBGSA-N. The full InChI is InChI=1S/C24H27F7N4O3/c1-12-18(14-4-5-16(25)19(26)15(14)10-34-6-8-37-9-7-34)20(38-23(12,3)24(29,30)31)21(36)32-17-11-35(22(27)28)33-13(17)2/h4-5,11-12,18,20,22H,6-10H2,1-3H3,(H,32,36)/t12-,18-,20+,23+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 552.49 g/mol, XLogP of 4.78, 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)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-(morpholin-4-ylmethyl)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 167212395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).