N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide

C18H17ClFN5O4 — CID 170446182

IUPACN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide
SMILESCOc1ncc(-c2cc(O)c(C(=O)Nc3c(Cl)n[nH]c3C)cc2F)nc1C(C)O
InChIInChI=1S/C18H17ClFN5O4/c1-7-14(16(19)25-24-7)23-17(28)10-4-11(20)9(5-13(10)27)12-6-21-18(29-3)15(22-12)8(2)26/h4-6,8,26-27H,1-3H3,(H,23,28)(H,24,25)
InChIKeyFGOZQTYTWVCGBA-UHFFFAOYSA-N
MW421.82 g/mol
LogP2.99
Rot. Bonds5

About N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide

N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide (PubChem CID 170446182) has the molecular formula C18H17ClFN5O4 and a molecular weight of 421.82 g/mol. Its IUPAC name is N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide
PubChem CID170446182
Molecular FormulaC18H17ClFN5O4
Molecular Weight421.82 g/mol
Exact Mass421.10
IUPAC NameN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide
SMILESCOc1ncc(-c2cc(O)c(C(=O)Nc3c(Cl)n[nH]c3C)cc2F)nc1C(C)O
InChIInChI=1S/C18H17ClFN5O4/c1-7-14(16(19)25-24-7)23-17(28)10-4-11(20)9(5-13(10)27)12-6-21-18(29-3)15(22-12)8(2)26/h4-6,8,26-27H,1-3H3,(H,23,28)(H,24,25)
InChIKeyFGOZQTYTWVCGBA-UHFFFAOYSA-N
XLogP2.99
TPSA133.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.82
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide
CID 156722593
N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-4-(5-cyclopropylpyrazin-2-yl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 171574226
3-amino-2-[[5-fluoro-2-hydroxy-4-[5-methoxy-6-(1-nitrosoethyl)pyrazin-2-yl]benzoyl]amino]but-2-enimidoyl chloride
CID 174157020
4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
CID 156722381
N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 171574220
N-(2-chloro-4-methyl-3-pyridinyl)-5-fluoro-2-hydroxy-4-(5-methyl-2-pyridinyl)benzamide;1,1,1-trifluoropropane
CID 156722546
5-fluoro-4-[2-(1-hydroxyethyl)-1-methylimidazol-4-yl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 174233755
N-(3-chloro-5-methylpyrazolidin-4-yl)-5-fluoro-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 171918965
(E)-3-amino-2-[[5-fluoro-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzoyl]amino]but-2-enimidoyl chloride
CID 171574222
5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide
CID 167829005
N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42687165
5-chloro-2-hydroxy-N-(2-methylpyrimidin-5-yl)benzamide
CID 167975567

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide?
The IUPAC name of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide (CID 170446182) is N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide.
What is the SMILES notation for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide?
The canonical SMILES for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide is COc1ncc(-c2cc(O)c(C(=O)Nc3c(Cl)n[nH]c3C)cc2F)nc1C(C)O.
What is the InChIKey of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide?
The InChIKey is FGOZQTYTWVCGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O4/c1-7-14(16(19)25-24-7)23-17(28)10-4-11(20)9(5-13(10)27)12-6-21-18(29-3)15(22-12)8(2)26/h4-6,8,26-27H,1-3H3,(H,23,28)(H,24,25).
What are the key properties of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide?
N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide has a molecular weight of 421.82 g/mol, XLogP of 2.99, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide is sourced from PubChem (CID 170446182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).