(2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C21H24ClN5O2 — CID 154924799

IUPAC(2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@@H](O)CN3)[nH]c2-c2ccccn2)cc1.Cl
InChIInChI=1S/C21H23N5O2.ClH/c1-13-5-7-14(8-6-13)19-20(16-4-2-3-9-22-16)26-18(25-19)12-24-21(28)17-10-15(27)11-23-17;/h2-9,15,17,23,27H,10-12H2,1H3,(H,24,28)(H,25,26);1H/t15-,17+;/m1./s1
InChIKeyISEWHDACVHYBLE-KALLACGZSA-N
MW413.91 g/mol
LogP2.21
Rot. Bonds5

About (2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 154924799) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID154924799
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC Name(2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@@H](O)CN3)[nH]c2-c2ccccn2)cc1.Cl
InChIInChI=1S/C21H23N5O2.ClH/c1-13-5-7-14(8-6-13)19-20(16-4-2-3-9-22-16)26-18(25-19)12-24-21(28)17-10-15(27)11-23-17;/h2-9,15,17,23,27H,10-12H2,1H3,(H,24,28)(H,25,26);1H/t15-,17+;/m1./s1
InChIKeyISEWHDACVHYBLE-KALLACGZSA-N
XLogP2.21
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 154924799) is (2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@@H](O)CN3)[nH]c2-c2ccccn2)cc1.Cl.
What is the InChIKey of (2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ISEWHDACVHYBLE-KALLACGZSA-N. The full InChI is InChI=1S/C21H23N5O2.ClH/c1-13-5-7-14(8-6-13)19-20(16-4-2-3-9-22-16)26-18(25-19)12-24-21(28)17-10-15(27)11-23-17;/h2-9,15,17,23,27H,10-12H2,1H3,(H,24,28)(H,25,26);1H/t15-,17+;/m1./s1.
What are the key properties of (2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 413.91 g/mol, XLogP of 2.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154924799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).