(3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C15H14F3N3O3 — CID 120963567

IUPAC(3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc2oc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](C(N)=O)C3)cc2n1
InChIInChI=1S/C15H14F3N3O3/c1-7-2-3-11-10(20-7)4-12(24-11)14(23)21-5-8(13(19)22)9(6-21)15(16,17)18/h2-4,8-9H,5-6H2,1H3,(H2,19,22)/t8-,9-/m1/s1
InChIKeyOKRWXMMHSAPZOX-RKDXNWHRSA-N
MW341.29 g/mol
LogP1.87
Rot. Bonds2

About (3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120963567) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is (3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120963567
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name(3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc2oc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](C(N)=O)C3)cc2n1
InChIInChI=1S/C15H14F3N3O3/c1-7-2-3-11-10(20-7)4-12(24-11)14(23)21-5-8(13(19)22)9(6-21)15(16,17)18/h2-4,8-9H,5-6H2,1H3,(H2,19,22)/t8-,9-/m1/s1
InChIKeyOKRWXMMHSAPZOX-RKDXNWHRSA-N
XLogP1.87
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 166238281
[4-(methylamino)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119564041
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 154762023
5-methyl-2-[4-(sulfamoylamino)piperidine-1-carbonyl]furo[3,2-b]pyridine
CID 167911199
[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 56779807
(3S,4S)-1-(2,6-dimethylpyridine-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950097
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 129485474
(3S,4S)-1-(7-methyl-1-benzofuran-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950344
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 95340989
(3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120949479
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119634678
(5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473639

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120963567) is (3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1ccc2oc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](C(N)=O)C3)cc2n1.
What is the InChIKey of (3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is OKRWXMMHSAPZOX-RKDXNWHRSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-7-2-3-11-10(20-7)4-12(24-11)14(23)21-5-8(13(19)22)9(6-21)15(16,17)18/h2-4,8-9H,5-6H2,1H3,(H2,19,22)/t8-,9-/m1/s1.
What are the key properties of (3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120963567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).