4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one

C24H14N4O5 — CID 175430641

IUPAC4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1-c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc3c[nH][nH]c3c12
InChIInChI=1S/C24H14N4O5/c29-23-15-3-1-2-4-17(15)33-24(30)20(23)19-18-16(10-7-13-11-25-27-22(13)18)26-21(19)12-5-8-14(9-6-12)28(31)32/h1-11,25,27,29H
InChIKeyOQAYSQWAEHKIKF-UHFFFAOYSA-N
MW438.40 g/mol
LogP5.10
Rot. Bonds3

About 4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one

4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one (PubChem CID 175430641) has the molecular formula C24H14N4O5 and a molecular weight of 438.40 g/mol. Its IUPAC name is 4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one
PubChem CID175430641
Molecular FormulaC24H14N4O5
Molecular Weight438.40 g/mol
Exact Mass438.10
IUPAC Name4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1-c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc3c[nH][nH]c3c12
InChIInChI=1S/C24H14N4O5/c29-23-15-3-1-2-4-17(15)33-24(30)20(23)19-18-16(10-7-13-11-25-27-22(13)18)26-21(19)12-5-8-14(9-6-12)28(31)32/h1-11,25,27,29H
InChIKeyOQAYSQWAEHKIKF-UHFFFAOYSA-N
XLogP5.10
TPSA138.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.40
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one (CID 175430641) is 4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one is O=c1oc2ccccc2c(O)c1-c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc3c[nH][nH]c3c12.
What is the InChIKey of 4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one?
The InChIKey is OQAYSQWAEHKIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O5/c29-23-15-3-1-2-4-17(15)33-24(30)20(23)19-18-16(10-7-13-11-25-27-22(13)18)26-21(19)12-5-8-14(9-6-12)28(31)32/h1-11,25,27,29H.
What are the key properties of 4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one?
4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one has a molecular weight of 438.40 g/mol, XLogP of 5.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[7-(4-nitrophenyl)-1,2-dihydropyrrolo[2,3-g]indazol-8-yl]chromen-2-one is sourced from PubChem (CID 175430641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).