methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate

C15H16N4O4 — CID 168561593

IUPACmethyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cccc3cn[nH]c23)C(=O)N(CCO)C1
InChIInChI=1S/C15H16N4O4/c1-23-15(22)10-8-19(5-6-20)14(21)13(10)17-11-4-2-3-9-7-16-18-12(9)11/h2-4,7,17,20H,5-6,8H2,1H3,(H,16,18)
InChIKeyQHTPMGSQNWVOTK-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.24
Rot. Bonds5

About methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate

methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 168561593) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID168561593
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Namemethyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cccc3cn[nH]c23)C(=O)N(CCO)C1
InChIInChI=1S/C15H16N4O4/c1-23-15(22)10-8-19(5-6-20)14(21)13(10)17-11-4-2-3-9-7-16-18-12(9)11/h2-4,7,17,20H,5-6,8H2,1H3,(H,16,18)
InChIKeyQHTPMGSQNWVOTK-UHFFFAOYSA-N
XLogP0.24
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(5-chloro-1H-indazol-6-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564678
methyl 1-(2-hydroxyethyl)-4-[(4-methylisoquinolin-5-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168564267
methyl 1-(2-hydroxyethyl)-4-[(2-methoxyquinolin-8-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168563000
methyl 1-(2-hydroxyethyl)-4-[(5-hydroxynaphthalen-1-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168562830
methyl 4-(2-ethylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564311
methyl 1-(2-hydroxyethyl)-4-(3-methoxy-2-methylanilino)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563228
methyl 1-(2-hydroxyethyl)-4-[2-(2-methoxyethylamino)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168561581
methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168563792
methyl 4-(2-chloro-3-fluoroanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564566
2-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]-6-methoxybenzoic acid
CID 168564956
methyl 4-[3-fluoro-2-(2-methoxyethylamino)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563981
methyl 1-(2-hydroxyethyl)-5-oxo-4-[2-(propan-2-ylamino)anilino]-2H-pyrrole-3-carboxylate
CID 168561437

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate (CID 168561593) is methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate is COC(=O)C1=C(Nc2cccc3cn[nH]c23)C(=O)N(CCO)C1.
What is the InChIKey of methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is QHTPMGSQNWVOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-23-15(22)10-8-19(5-6-20)14(21)13(10)17-11-4-2-3-9-7-16-18-12(9)11/h2-4,7,17,20H,5-6,8H2,1H3,(H,16,18).
What are the key properties of methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate?
methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 316.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)-4-(1H-indazol-7-ylamino)-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 168561593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).