(2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C23H24F5N3O3 — CID 170959219

IUPAC(2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccnc(C4(N)CC4)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C23H24F5N3O3/c1-11-16(13-4-5-14(24)17(25)18(13)33-3)19(34-21(11,2)23(26,27)28)20(32)31-12-6-9-30-15(10-12)22(29)7-8-22/h4-6,9-11,16,19H,7-8,29H2,1-3H3,(H,30,31,32)/t11-,16-,19+,21+/m0/s1
InChIKeyCLNUGSDVRUICOP-YFVHLLGCSA-N
MW485.45 g/mol
LogP4.39
Rot. Bonds5

About (2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 170959219) has the molecular formula C23H24F5N3O3 and a molecular weight of 485.45 g/mol. Its IUPAC name is (2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID170959219
Molecular FormulaC23H24F5N3O3
Molecular Weight485.45 g/mol
Exact Mass485.17
IUPAC Name(2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccnc(C4(N)CC4)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F
InChIInChI=1S/C23H24F5N3O3/c1-11-16(13-4-5-14(24)17(25)18(13)33-3)19(34-21(11,2)23(26,27)28)20(32)31-12-6-9-30-15(10-12)22(29)7-8-22/h4-6,9-11,16,19H,7-8,29H2,1-3H3,(H,30,31,32)/t11-,16-,19+,21+/m0/s1
InChIKeyCLNUGSDVRUICOP-YFVHLLGCSA-N
XLogP4.39
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-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-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 170959219) is (2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccnc(C4(N)CC4)c3)O[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F.
What is the InChIKey of (2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is CLNUGSDVRUICOP-YFVHLLGCSA-N. The full InChI is InChI=1S/C23H24F5N3O3/c1-11-16(13-4-5-14(24)17(25)18(13)33-3)19(34-21(11,2)23(26,27)28)20(32)31-12-6-9-30-15(10-12)22(29)7-8-22/h4-6,9-11,16,19H,7-8,29H2,1-3H3,(H,30,31,32)/t11-,16-,19+,21+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 485.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-N-[2-(1-aminocyclopropyl)-4-pyridinyl]-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 170959219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).