2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide

C20H23FN4O2 — CID 146110171

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C20H23FN4O2/c1-12-15(16-8-14(21)2-3-17(16)23-12)9-20(27)24-18-6-13(7-19(18)26)10-25-5-4-22-11-25/h2-5,8,11,13,18-19,23,26H,6-7,9-10H2,1H3,(H,24,27)/t13?,18-,19-/m1/s1
InChIKeyKPKXSZSNPSAHRO-GFWLXOEUSA-N
MW370.43 g/mol
LogP2.31
Rot. Bonds5

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide (PubChem CID 146110171) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide
PubChem CID146110171
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C20H23FN4O2/c1-12-15(16-8-14(21)2-3-17(16)23-12)9-20(27)24-18-6-13(7-19(18)26)10-25-5-4-22-11-25/h2-5,8,11,13,18-19,23,26H,6-7,9-10H2,1H3,(H,24,27)/t13?,18-,19-/m1/s1
InChIKeyKPKXSZSNPSAHRO-GFWLXOEUSA-N
XLogP2.31
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide (CID 146110171) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide?
The InChIKey is KPKXSZSNPSAHRO-GFWLXOEUSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-12-15(16-8-14(21)2-3-17(16)23-12)9-20(27)24-18-6-13(7-19(18)26)10-25-5-4-22-11-25/h2-5,8,11,13,18-19,23,26H,6-7,9-10H2,1H3,(H,24,27)/t13?,18-,19-/m1/s1.
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide is sourced from PubChem (CID 146110171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).