methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate

C15H15ClN4O4 — CID 168564678

IUPACmethyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cc3[nH]ncc3cc2Cl)C(=O)N(CCO)C1
InChIInChI=1S/C15H15ClN4O4/c1-24-15(23)9-7-20(2-3-21)14(22)13(9)18-12-5-11-8(4-10(12)16)6-17-19-11/h4-6,18,21H,2-3,7H2,1H3,(H,17,19)
InChIKeyQSDWTQVCUCVKRS-UHFFFAOYSA-N
MW350.76 g/mol
LogP0.89
Rot. Bonds5

About methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate

methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 168564678) has the molecular formula C15H15ClN4O4 and a molecular weight of 350.76 g/mol. Its IUPAC name is methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID168564678
Molecular FormulaC15H15ClN4O4
Molecular Weight350.76 g/mol
Exact Mass350.08
IUPAC Namemethyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cc3[nH]ncc3cc2Cl)C(=O)N(CCO)C1
InChIInChI=1S/C15H15ClN4O4/c1-24-15(23)9-7-20(2-3-21)14(22)13(9)18-12-5-11-8(4-10(12)16)6-17-19-11/h4-6,18,21H,2-3,7H2,1H3,(H,17,19)
InChIKeyQSDWTQVCUCVKRS-UHFFFAOYSA-N
XLogP0.89
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate
CID 168561593
methyl 4-(2-chloro-4-methylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560884
methyl 4-[3-chloro-4-(propanoylamino)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563800
methyl 4-(2,6-dichloro-4-iodoanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562169
methyl 4-(2-bromo-5-chloroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563406
methyl 4-(5-fluoro-2-methylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560918
methyl 4-(3-fluoro-2,4-dimethylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562770
methyl 4-[5-(1,3-benzoxazol-2-yl)-2-chloroanilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564252
methyl 4-(2-chloro-3-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564566
methyl 4-(2-bromo-3,5-difluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562341
methyl 4-(3-chloro-2,6-diethylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562002
methyl 4-[2-[(2,6-dichlorophenyl)carbamoyl]anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564382

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate (CID 168564678) is methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate is COC(=O)C1=C(Nc2cc3[nH]ncc3cc2Cl)C(=O)N(CCO)C1.
What is the InChIKey of methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is QSDWTQVCUCVKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O4/c1-24-15(23)9-7-20(2-3-21)14(22)13(9)18-12-5-11-8(4-10(12)16)6-17-19-11/h4-6,18,21H,2-3,7H2,1H3,(H,17,19).
What are the key properties of methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate?
methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 350.76 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 168564678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).