3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione

C26H26ClN5O3 — CID 10117343

IUPAC3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione
SMILESCN(CCO)CCCn1nc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H26ClN5O3/c1-30(12-13-33)10-5-11-32-21-7-4-3-6-17(21)24(29-32)23-22(25(34)28-26(23)35)19-15-31(2)20-9-8-16(27)14-18(19)20/h3-4,6-9,14-15,33H,5,10-13H2,1-2H3,(H,28,34,35)
InChIKeyHPNKMFOUDKYPNQ-UHFFFAOYSA-N
MW491.98 g/mol
LogP3.06
Rot. Bonds8

About 3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione

3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione (PubChem CID 10117343) has the molecular formula C26H26ClN5O3 and a molecular weight of 491.98 g/mol. Its IUPAC name is 3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione
PubChem CID10117343
Molecular FormulaC26H26ClN5O3
Molecular Weight491.98 g/mol
Exact Mass491.17
IUPAC Name3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione
SMILESCN(CCO)CCCn1nc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H26ClN5O3/c1-30(12-13-33)10-5-11-32-21-7-4-3-6-17(21)24(29-32)23-22(25(34)28-26(23)35)19-15-31(2)20-9-8-16(27)14-18(19)20/h3-4,6-9,14-15,33H,5,10-13H2,1-2H3,(H,28,34,35)
InChIKeyHPNKMFOUDKYPNQ-UHFFFAOYSA-N
XLogP3.06
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione (CID 10117343) is 3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione is CN(CCO)CCCn1nc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione?
The InChIKey is HPNKMFOUDKYPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O3/c1-30(12-13-33)10-5-11-32-21-7-4-3-6-17(21)24(29-32)23-22(25(34)28-26(23)35)19-15-31(2)20-9-8-16(27)14-18(19)20/h3-4,6-9,14-15,33H,5,10-13H2,1-2H3,(H,28,34,35).
What are the key properties of 3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione?
3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione has a molecular weight of 491.98 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methylindol-3-yl)-4-[1-[3-[2-hydroxyethyl(methyl)amino]propyl]indazol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10117343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).