(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

C22H24F5N3O3 — CID 166160235

IUPAC(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
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3cnc4n3CCCC4)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H24F5N3O3/c1-11-16(12-7-8-13(23)17(24)18(12)32-3)19(33-21(11,2)22(25,26)27)20(31)29-15-10-28-14-6-4-5-9-30(14)15/h7-8,10-11,16,19H,4-6,9H2,1-3H3,(H,29,31)/t11-,16-,19+,21+/m0/s1
InChIKeyDIECXZCMGCAAQN-YFVHLLGCSA-N
MW473.44 g/mol
LogP4.58
Rot. Bonds4

About (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

(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 (PubChem CID 166160235) has the molecular formula C22H24F5N3O3 and a molecular weight of 473.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166160235
Molecular FormulaC22H24F5N3O3
Molecular Weight473.44 g/mol
Exact Mass473.17
IUPAC Name(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
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3cnc4n3CCCC4)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C22H24F5N3O3/c1-11-16(12-7-8-13(23)17(24)18(12)32-3)19(33-21(11,2)22(25,26)27)20(31)29-15-10-28-14-6-4-5-9-30(14)15/h7-8,10-11,16,19H,4-6,9H2,1-3H3,(H,29,31)/t11-,16-,19+,21+/m0/s1
InChIKeyDIECXZCMGCAAQN-YFVHLLGCSA-N
XLogP4.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 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)-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)-N-(6-bromo-3-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211949
(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
4-[[(2R,3R,4R,5S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide
CID 169046646
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
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
6-[[(2R,3R,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyrimidine-4-carboxamide
CID 169046801
6-[[(2S,3R,4S,5S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyrimidine-4-carboxamide
CID 169047207
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]pyrimidin-5-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166583806
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]-5-fluoro-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160181
(2S,3S,4S,5R)-N-(2-acetyl-4-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 170407687

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1c([C@H]2[C@H](C(=O)Nc3cnc4n3CCCC4)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-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is DIECXZCMGCAAQN-YFVHLLGCSA-N. The full InChI is InChI=1S/C22H24F5N3O3/c1-11-16(12-7-8-13(23)17(24)18(12)32-3)19(33-21(11,2)22(25,26)27)20(31)29-15-10-28-14-6-4-5-9-30(14)15/h7-8,10-11,16,19H,4-6,9H2,1-3H3,(H,29,31)/t11-,16-,19+,21+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 473.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 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-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).