5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide

C18H19FN4O2 — CID 146110524

IUPAC5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cc(F)cc2cc[nH]c12
InChIInChI=1S/C18H19FN4O2/c19-13-7-12-1-2-21-17(12)14(8-13)18(25)22-15-5-11(6-16(15)24)9-23-4-3-20-10-23/h1-4,7-8,10-11,15-16,21,24H,5-6,9H2,(H,22,25)/t11?,15-,16-/m1/s1
InChIKeyVJEQGPQJQYUADE-HJWAUIETSA-N
MW342.37 g/mol
LogP2.07
Rot. Bonds4

About 5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide

5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide (PubChem CID 146110524) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide
PubChem CID146110524
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cc(F)cc2cc[nH]c12
InChIInChI=1S/C18H19FN4O2/c19-13-7-12-1-2-21-17(12)14(8-13)18(25)22-15-5-11(6-16(15)24)9-23-4-3-20-10-23/h1-4,7-8,10-11,15-16,21,24H,5-6,9H2,(H,22,25)/t11?,15-,16-/m1/s1
InChIKeyVJEQGPQJQYUADE-HJWAUIETSA-N
XLogP2.07
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide?
The IUPAC name of 5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide (CID 146110524) is 5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide?
The canonical SMILES for 5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cc(F)cc2cc[nH]c12.
What is the InChIKey of 5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide?
The InChIKey is VJEQGPQJQYUADE-HJWAUIETSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-13-7-12-1-2-21-17(12)14(8-13)18(25)22-15-5-11(6-16(15)24)9-23-4-3-20-10-23/h1-4,7-8,10-11,15-16,21,24H,5-6,9H2,(H,22,25)/t11?,15-,16-/m1/s1.
What are the key properties of 5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide?
5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 146110524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).