3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione

C23H19ClN4O3 — CID 10224909

IUPAC3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCO)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H19ClN4O3/c1-27-12-16(15-11-13(24)7-8-17(15)27)19-20(23(31)25-22(19)30)21-14-5-2-3-6-18(14)28(26-21)9-4-10-29/h2-3,5-8,11-12,29H,4,9-10H2,1H3,(H,25,30,31)
InChIKeyMUWWOXJSRBVEAB-UHFFFAOYSA-N
MW434.88 g/mol
LogP3.13
Rot. Bonds5

About 3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione

3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione (PubChem CID 10224909) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione
PubChem CID10224909
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCO)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H19ClN4O3/c1-27-12-16(15-11-13(24)7-8-17(15)27)19-20(23(31)25-22(19)30)21-14-5-2-3-6-18(14)28(26-21)9-4-10-29/h2-3,5-8,11-12,29H,4,9-10H2,1H3,(H,25,30,31)
InChIKeyMUWWOXJSRBVEAB-UHFFFAOYSA-N
XLogP3.13
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione (CID 10224909) is 3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione is Cn1cc(C2=C(c3nn(CCCO)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione?
The InChIKey is MUWWOXJSRBVEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-27-12-16(15-11-13(24)7-8-17(15)27)19-20(23(31)25-22(19)30)21-14-5-2-3-6-18(14)28(26-21)9-4-10-29/h2-3,5-8,11-12,29H,4,9-10H2,1H3,(H,25,30,31).
What are the key properties of 3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione?
3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione has a molecular weight of 434.88 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methylindol-3-yl)-4-[1-(3-hydroxypropyl)indazol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10224909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).