2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride

C26H23ClFN5O2 — CID 68811472

IUPAC2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride
SMILESCc1[nH]ncc1-c1ccc2ncc(-c3ccc(C(=O)N[C@@H](CO)c4ccccc4)c(F)c3)n2c1.Cl
InChIInChI=1S/C26H22FN5O2.ClH/c1-16-21(12-29-31-16)19-8-10-25-28-13-24(32(25)14-19)18-7-9-20(22(27)11-18)26(34)30-23(15-33)17-5-3-2-4-6-17;/h2-14,23,33H,15H2,1H3,(H,29,31)(H,30,34);1H/t23-;/m0./s1
InChIKeyBBFDGZLYGWZFAB-BQAIUKQQSA-N
MW491.95 g/mol
LogP4.72
Rot. Bonds6

About 2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride

2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride (PubChem CID 68811472) has the molecular formula C26H23ClFN5O2 and a molecular weight of 491.95 g/mol. Its IUPAC name is 2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride
PubChem CID68811472
Molecular FormulaC26H23ClFN5O2
Molecular Weight491.95 g/mol
Exact Mass491.15
IUPAC Name2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride
SMILESCc1[nH]ncc1-c1ccc2ncc(-c3ccc(C(=O)N[C@@H](CO)c4ccccc4)c(F)c3)n2c1.Cl
InChIInChI=1S/C26H22FN5O2.ClH/c1-16-21(12-29-31-16)19-8-10-25-28-13-24(32(25)14-19)18-7-9-20(22(27)11-18)26(34)30-23(15-33)17-5-3-2-4-6-17;/h2-14,23,33H,15H2,1H3,(H,29,31)(H,30,34);1H/t23-;/m0./s1
InChIKeyBBFDGZLYGWZFAB-BQAIUKQQSA-N
XLogP4.72
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 23537310
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride
CID 68812081
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
4-[2-amino-5-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118046570
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 141444513
4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045399
N-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride
CID 68812387
4-[3-amino-6-(5-methyl-1,2-oxazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045871
4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 118045672
4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 97340412
4-[2-amino-5-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045864
4-[2-amino-5-(1,2-oxazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045535

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride (CID 68811472) is 2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride is Cc1[nH]ncc1-c1ccc2ncc(-c3ccc(C(=O)N[C@@H](CO)c4ccccc4)c(F)c3)n2c1.Cl.
What is the InChIKey of 2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?
The InChIKey is BBFDGZLYGWZFAB-BQAIUKQQSA-N. The full InChI is InChI=1S/C26H22FN5O2.ClH/c1-16-21(12-29-31-16)19-8-10-25-28-13-24(32(25)14-19)18-7-9-20(22(27)11-18)26(34)30-23(15-33)17-5-3-2-4-6-17;/h2-14,23,33H,15H2,1H3,(H,29,31)(H,30,34);1H/t23-;/m0./s1.
What are the key properties of 2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride?
2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride has a molecular weight of 491.95 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 68811472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).