methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate

C20H24N4O5 — CID 168563792

IUPACmethyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cccc3cnn(C4CCCCO4)c23)C(=O)N(CCO)C1
InChIInChI=1S/C20H24N4O5/c1-28-20(27)14-12-23(8-9-25)19(26)17(14)22-15-6-4-5-13-11-21-24(18(13)15)16-7-2-3-10-29-16/h4-6,11,16,22,25H,2-3,7-10,12H2,1H3
InChIKeyVLPSVNAUSOTHQI-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.41
Rot. Bonds6

About methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate

methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 168563792) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID168563792
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Namemethyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cccc3cnn(C4CCCCO4)c23)C(=O)N(CCO)C1
InChIInChI=1S/C20H24N4O5/c1-28-20(27)14-12-23(8-9-25)19(26)17(14)22-15-6-4-5-13-11-21-24(18(13)15)16-7-2-3-10-29-16/h4-6,11,16,22,25H,2-3,7-10,12H2,1H3
InChIKeyVLPSVNAUSOTHQI-UHFFFAOYSA-N
XLogP1.41
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-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 1-(2-hydroxyethyl)-4-[(4-methylisoquinolin-5-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168564267
methyl 4-[2-(cyclopropylmethylamino)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563045
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 4-[(2-cyclopropyl-3-oxo-1H-isoindol-4-yl)amino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564758
methyl 4-[2-(dimethoxymethyl)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168563046
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
2-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]-6-methoxybenzoic acid
CID 168564956
methyl 4-[3-(difluoromethoxy)-2-fluoroanilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562445
methyl 1-(2-hydroxyethyl)-5-oxo-4-(2-propan-2-yloxyanilino)-2H-pyrrole-3-carboxylate
CID 168561554

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate (CID 168563792) is methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate is COC(=O)C1=C(Nc2cccc3cnn(C4CCCCO4)c23)C(=O)N(CCO)C1.
What is the InChIKey of methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is VLPSVNAUSOTHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-28-20(27)14-12-23(8-9-25)19(26)17(14)22-15-6-4-5-13-11-21-24(18(13)15)16-7-2-3-10-29-16/h4-6,11,16,22,25H,2-3,7-10,12H2,1H3.
What are the key properties of methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate?
methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 400.44 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 168563792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).