(4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

C17H18FN5O2 — CID 128985136

IUPAC(4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc3c(F)cccc3[nH]2)C1
InChIInChI=1S/C17H18FN5O2/c1-9-19-16(22-21-9)15-6-10(25-2)8-23(15)17(24)14-7-11-12(18)4-3-5-13(11)20-14/h3-5,7,10,15,20H,6,8H2,1-2H3,(H,19,21,22)/t10-,15+/m1/s1
InChIKeyCOSJCQDYKBXDNE-BMIGLBTASA-N
MW343.36 g/mol
LogP2.34
Rot. Bonds3

About (4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

(4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 128985136) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is (4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID128985136
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name(4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc3c(F)cccc3[nH]2)C1
InChIInChI=1S/C17H18FN5O2/c1-9-19-16(22-21-9)15-6-10(25-2)8-23(15)17(24)14-7-11-12(18)4-3-5-13(11)20-14/h3-5,7,10,15,20H,6,8H2,1-2H3,(H,19,21,22)/t10-,15+/m1/s1
InChIKeyCOSJCQDYKBXDNE-BMIGLBTASA-N
XLogP2.34
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1H-indole-2-carboxamide
CID 13822923
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-1H-indole-2-carboxamide
CID 91888051
(5-fluoro-1H-indol-2-yl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53569362
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(1H-indol-2-yl)methanone
CID 53584848
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-fluoro-1H-indol-2-yl)methanone
CID 53616175
(5-fluoro-1H-indol-2-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53616831
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 56778782
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-3,5,7-trimethyl-1H-indole-2-carboxamide
CID 70750851
N-{1-[4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]ethyl}-3,5-dimethyl-1H-indole-2-carboxamide
CID 70782080
1-(2-methoxyethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]indole-2-carboxamide
CID 72118943
1H-indazol-3-yl-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 72123330
[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 124041196

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (CID 128985136) is (4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc3c(F)cccc3[nH]2)C1.
What is the InChIKey of (4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is COSJCQDYKBXDNE-BMIGLBTASA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-9-19-16(22-21-9)15-6-10(25-2)8-23(15)17(24)14-7-11-12(18)4-3-5-13(11)20-14/h3-5,7,10,15,20H,6,8H2,1-2H3,(H,19,21,22)/t10-,15+/m1/s1.
What are the key properties of (4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
(4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 343.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128985136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).