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

C24H22F5N5O4 — CID 166159921

IUPAC4-[[(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
SMILESC[C@H]1[C@@H](c2ccc(F)c(F)c2OCc2cn[nH]c2)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C24H22F5N5O4/c1-11-17(14-3-4-15(25)18(26)19(14)37-10-12-8-32-33-9-12)20(38-23(11,2)24(27,28)29)22(36)34-13-5-6-31-16(7-13)21(30)35/h3-9,11,17,20H,10H2,1-2H3,(H2,30,35)(H,32,33)(H,31,34,36)/t11-,17-,20+,23+/m0/s1
InChIKeyIZFQYIVRGMUGIV-LBOCZGAHSA-N
MW539.46 g/mol
LogP3.84
Rot. Bonds7

About 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

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 (PubChem CID 166159921) has the molecular formula C24H22F5N5O4 and a molecular weight of 539.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[(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
PubChem CID166159921
Molecular FormulaC24H22F5N5O4
Molecular Weight539.46 g/mol
Exact Mass539.16
IUPAC Name4-[[(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
SMILESC[C@H]1[C@@H](c2ccc(F)c(F)c2OCc2cn[nH]c2)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C24H22F5N5O4/c1-11-17(14-3-4-15(25)18(26)19(14)37-10-12-8-32-33-9-12)20(38-23(11,2)24(27,28)29)22(36)34-13-5-6-31-16(7-13)21(30)35/h3-9,11,17,20H,10H2,1-2H3,(H2,30,35)(H,32,33)(H,31,34,36)/t11-,17-,20+,23+/m0/s1
InChIKeyIZFQYIVRGMUGIV-LBOCZGAHSA-N
XLogP3.84
TPSA132.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.46
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1[C@@H](c2ccc(F)c(F)c2OCc2cn[nH]c2)[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is IZFQYIVRGMUGIV-LBOCZGAHSA-N. The full InChI is InChI=1S/C24H22F5N5O4/c1-11-17(14-3-4-15(25)18(26)19(14)37-10-12-8-32-33-9-12)20(38-23(11,2)24(27,28)29)22(36)34-13-5-6-31-16(7-13)21(30)35/h3-9,11,17,20H,10H2,1-2H3,(H2,30,35)(H,32,33)(H,31,34,36)/t11-,17-,20+,23+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 539.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166159921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).