1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione

C26H24N4O3 — CID 58551202

IUPAC1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione
SMILESCn1ncc2c1-c1ccccc1OC21CCN(C(=O)C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C26H24N4O3/c1-28-16-19(17-7-3-5-9-21(17)28)24(31)25(32)30-13-11-26(12-14-30)20-15-27-29(2)23(20)18-8-4-6-10-22(18)33-26/h3-10,15-16H,11-14H2,1-2H3
InChIKeyYHYOOZHWVOWSBG-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.67
Rot. Bonds2

About 1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione

1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione (PubChem CID 58551202) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione
PubChem CID58551202
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione
SMILESCn1ncc2c1-c1ccccc1OC21CCN(C(=O)C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C26H24N4O3/c1-28-16-19(17-7-3-5-9-21(17)28)24(31)25(32)30-13-11-26(12-14-30)20-15-27-29(2)23(20)18-8-4-6-10-22(18)33-26/h3-10,15-16H,11-14H2,1-2H3
InChIKeyYHYOOZHWVOWSBG-UHFFFAOYSA-N
XLogP3.67
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione?
The IUPAC name of 1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione (CID 58551202) is 1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione?
The canonical SMILES for 1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione is Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)C(=O)c2cn(C)c3ccccc23)CC1.
What is the InChIKey of 1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione?
The InChIKey is YHYOOZHWVOWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-28-16-19(17-7-3-5-9-21(17)28)24(31)25(32)30-13-11-26(12-14-30)20-15-27-29(2)23(20)18-8-4-6-10-22(18)33-26/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione?
1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione has a molecular weight of 440.50 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione is sourced from PubChem (CID 58551202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).