3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide

C21H21FN4O2 — CID 146110344

IUPAC3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc(-c2ccncc2)c(F)c1
InChIInChI=1S/C21H21FN4O2/c22-18-11-16(1-2-17(18)15-3-5-23-6-4-15)21(28)25-19-9-14(10-20(19)27)12-26-8-7-24-13-26/h1-8,11,13-14,19-20,27H,9-10,12H2,(H,25,28)/t14?,19-,20-/m1/s1
InChIKeyRFOVBRNXCSGOCR-LZVFCHHLSA-N
MW380.42 g/mol
LogP2.65
Rot. Bonds5

About 3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide

3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide (PubChem CID 146110344) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide
PubChem CID146110344
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc(-c2ccncc2)c(F)c1
InChIInChI=1S/C21H21FN4O2/c22-18-11-16(1-2-17(18)15-3-5-23-6-4-15)21(28)25-19-9-14(10-20(19)27)12-26-8-7-24-13-26/h1-8,11,13-14,19-20,27H,9-10,12H2,(H,25,28)/t14?,19-,20-/m1/s1
InChIKeyRFOVBRNXCSGOCR-LZVFCHHLSA-N
XLogP2.65
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide (CID 146110344) is 3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc(-c2ccncc2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide?
The InChIKey is RFOVBRNXCSGOCR-LZVFCHHLSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-18-11-16(1-2-17(18)15-3-5-23-6-4-15)21(28)25-19-9-14(10-20(19)27)12-26-8-7-24-13-26/h1-8,11,13-14,19-20,27H,9-10,12H2,(H,25,28)/t14?,19-,20-/m1/s1.
What are the key properties of 3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide?
3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide has a molecular weight of 380.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 146110344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).