1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C18H19ClN4O2 — CID 135655645

IUPAC1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCN1C(=O)C2(CC(=O)Nc3c2cnn3C(C)(C)C)c2c(Cl)cccc21
InChIInChI=1S/C18H19ClN4O2/c1-17(2,3)23-15-10(9-20-23)18(8-13(24)21-15)14-11(19)6-5-7-12(14)22(4)16(18)25/h5-7,9H,8H2,1-4H3,(H,21,24)
InChIKeyKWEBMJRPFBQWCW-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.90
Rot. Bonds

About 1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135655645) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135655645
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCN1C(=O)C2(CC(=O)Nc3c2cnn3C(C)(C)C)c2c(Cl)cccc21
InChIInChI=1S/C18H19ClN4O2/c1-17(2,3)23-15-10(9-20-23)18(8-13(24)21-15)14-11(19)6-5-7-12(14)22(4)16(18)25/h5-7,9H,8H2,1-4H3,(H,21,24)
InChIKeyKWEBMJRPFBQWCW-UHFFFAOYSA-N
XLogP2.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of 1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135655645) is 1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for 1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for 1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is CN1C(=O)C2(CC(=O)Nc3c2cnn3C(C)(C)C)c2c(Cl)cccc21.
What is the InChIKey of 1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is KWEBMJRPFBQWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-17(2,3)23-15-10(9-20-23)18(8-13(24)21-15)14-11(19)6-5-7-12(14)22(4)16(18)25/h5-7,9H,8H2,1-4H3,(H,21,24).
What are the key properties of 1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 358.83 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4'-chloro-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135655645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).