(2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide

C20H20FN5O2 — CID 56759231

IUPAC(2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C20H20FN5O2/c21-13-5-3-4-12(8-13)18-19(15-6-1-2-7-22-15)26-17(25-18)11-24-20(28)16-9-14(27)10-23-16/h1-8,14,16,23,27H,9-11H2,(H,24,28)(H,25,26)/t14-,16+/m1/s1
InChIKeyNAWSSLMALVJITC-ZBFHGGJFSA-N
MW381.41 g/mol
LogP1.62
Rot. Bonds5

About (2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 56759231) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is (2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID56759231
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name(2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C20H20FN5O2/c21-13-5-3-4-12(8-13)18-19(15-6-1-2-7-22-15)26-17(25-18)11-24-20(28)16-9-14(27)10-23-16/h1-8,14,16,23,27H,9-11H2,(H,24,28)(H,25,26)/t14-,16+/m1/s1
InChIKeyNAWSSLMALVJITC-ZBFHGGJFSA-N
XLogP1.62
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 56759231) is (2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is NAWSSLMALVJITC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-13-5-3-4-12(8-13)18-19(15-6-1-2-7-22-15)26-17(25-18)11-24-20(28)16-9-14(27)10-23-16/h1-8,14,16,23,27H,9-11H2,(H,24,28)(H,25,26)/t14-,16+/m1/s1.
What are the key properties of (2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 56759231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).