1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C21H18N4O3 — CID 135654613

IUPAC1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCOc1ccc(-n2ncc3c2NC(=O)CC32C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C21H18N4O3/c1-24-17-6-4-3-5-15(17)21(20(24)27)11-18(26)23-19-16(21)12-22-25(19)13-7-9-14(28-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,23,26)
InChIKeyKZNZQCZXFHQAQQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.49
Rot. Bonds2

About 1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135654613) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135654613
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCOc1ccc(-n2ncc3c2NC(=O)CC32C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C21H18N4O3/c1-24-17-6-4-3-5-15(17)21(20(24)27)11-18(26)23-19-16(21)12-22-25(19)13-7-9-14(28-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,23,26)
InChIKeyKZNZQCZXFHQAQQ-UHFFFAOYSA-N
XLogP2.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of 1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135654613) is 1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is COc1ccc(-n2ncc3c2NC(=O)CC32C(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is KZNZQCZXFHQAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-24-17-6-4-3-5-15(17)21(20(24)27)11-18(26)23-19-16(21)12-22-25(19)13-7-9-14(28-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 374.40 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135654613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).