(2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide

C16H18FN3O4 — CID 128983867

IUPAC(2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOc1ccc(F)c2[nH]c(C(=O)N3C[C@@H](OC)C[C@H]3C(N)=O)cc12
InChIInChI=1S/C16H18FN3O4/c1-23-8-5-12(15(18)21)20(7-8)16(22)11-6-9-13(24-2)4-3-10(17)14(9)19-11/h3-4,6,8,12,19H,5,7H2,1-2H3,(H2,18,21)/t8-,12-/m0/s1
InChIKeyNVFDYZKRIREGBU-UFBFGSQYSA-N
MW335.34 g/mol
LogP1.03
Rot. Bonds4

About (2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128983867) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is (2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID128983867
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Name(2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOc1ccc(F)c2[nH]c(C(=O)N3C[C@@H](OC)C[C@H]3C(N)=O)cc12
InChIInChI=1S/C16H18FN3O4/c1-23-8-5-12(15(18)21)20(7-8)16(22)11-6-9-13(24-2)4-3-10(17)14(9)19-11/h3-4,6,8,12,19H,5,7H2,1-2H3,(H2,18,21)/t8-,12-/m0/s1
InChIKeyNVFDYZKRIREGBU-UFBFGSQYSA-N
XLogP1.03
TPSA97.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide (CID 128983867) is (2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide is COc1ccc(F)c2[nH]c(C(=O)N3C[C@@H](OC)C[C@H]3C(N)=O)cc12.
What is the InChIKey of (2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is NVFDYZKRIREGBU-UFBFGSQYSA-N. The full InChI is InChI=1S/C16H18FN3O4/c1-23-8-5-12(15(18)21)20(7-8)16(22)11-6-9-13(24-2)4-3-10(17)14(9)19-11/h3-4,6,8,12,19H,5,7H2,1-2H3,(H2,18,21)/t8-,12-/m0/s1.
What are the key properties of (2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(7-fluoro-4-methoxy-1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128983867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).