2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid

C19H17ClN6O4 — CID 89262375

IUPAC2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
SMILESO=C(Nc1ccc(C2CN(C(=O)O)CCO2)cc1)c1ccn(-c2nccnc2Cl)n1
InChIInChI=1S/C19H17ClN6O4/c20-16-17(22-7-6-21-16)26-8-5-14(24-26)18(27)23-13-3-1-12(2-4-13)15-11-25(19(28)29)9-10-30-15/h1-8,15H,9-11H2,(H,23,27)(H,28,29)
InChIKeyOBSJZBOPVJBMRS-UHFFFAOYSA-N
MW428.84 g/mol
LogP2.62
Rot. Bonds4

About 2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid

2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid (PubChem CID 89262375) has the molecular formula C19H17ClN6O4 and a molecular weight of 428.84 g/mol. Its IUPAC name is 2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
PubChem CID89262375
Molecular FormulaC19H17ClN6O4
Molecular Weight428.84 g/mol
Exact Mass428.10
IUPAC Name2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
SMILESO=C(Nc1ccc(C2CN(C(=O)O)CCO2)cc1)c1ccn(-c2nccnc2Cl)n1
InChIInChI=1S/C19H17ClN6O4/c20-16-17(22-7-6-21-16)26-8-5-14(24-26)18(27)23-13-3-1-12(2-4-13)15-11-25(19(28)29)9-10-30-15/h1-8,15H,9-11H2,(H,23,27)(H,28,29)
InChIKeyOBSJZBOPVJBMRS-UHFFFAOYSA-N
XLogP2.62
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid with MolForge

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Related Compounds

1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 89262472
2-[4-[[1-[4-(difluoromethoxy)phenyl]pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
CID 71087967
2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid
CID 88937603
1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 160713811
(2S)-2-[3-cyano-4-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
CID 71086783
(2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
CID 130429737
2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
CID 170722933
2-(4-aminophenyl)morpholine-4-carboxylic acid
CID 66705901
2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid
CID 91591906
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810
[2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone
CID 112732538
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid?
The IUPAC name of 2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid (CID 89262375) is 2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid?
The canonical SMILES for 2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid is O=C(Nc1ccc(C2CN(C(=O)O)CCO2)cc1)c1ccn(-c2nccnc2Cl)n1.
What is the InChIKey of 2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid?
The InChIKey is OBSJZBOPVJBMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O4/c20-16-17(22-7-6-21-16)26-8-5-14(24-26)18(27)23-13-3-1-12(2-4-13)15-11-25(19(28)29)9-10-30-15/h1-8,15H,9-11H2,(H,23,27)(H,28,29).
What are the key properties of 2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid?
2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid has a molecular weight of 428.84 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 89262375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).