2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide

C21H16ClN5O3 — CID 135902197

IUPAC2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
SMILESNC(=O)CN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C21H16ClN5O3/c22-14-6-2-4-8-16(14)27-19-13(10-24-27)21(9-18(29)25-19)12-5-1-3-7-15(12)26(20(21)30)11-17(23)28/h1-8,10H,9,11H2,(H2,23,28)(H,25,29)/t21-/m1/s1
InChIKeyBABOXBMDENPOCU-OAQYLSRUSA-N
MW421.84 g/mol
LogP1.99
Rot. Bonds3

About 2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide

2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide (PubChem CID 135902197) has the molecular formula C21H16ClN5O3 and a molecular weight of 421.84 g/mol. Its IUPAC name is 2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
PubChem CID135902197
Molecular FormulaC21H16ClN5O3
Molecular Weight421.84 g/mol
Exact Mass421.09
IUPAC Name2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
SMILESNC(=O)CN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C21H16ClN5O3/c22-14-6-2-4-8-16(14)27-19-13(10-24-27)21(9-18(29)25-19)12-5-1-3-7-15(12)26(20(21)30)11-17(23)28/h1-8,10H,9,11H2,(H2,23,28)(H,25,29)/t21-/m1/s1
InChIKeyBABOXBMDENPOCU-OAQYLSRUSA-N
XLogP1.99
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The IUPAC name of 2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide (CID 135902197) is 2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide.
What is the SMILES notation for 2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The canonical SMILES for 2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide is NC(=O)CN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2ccccc21.
What is the InChIKey of 2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The InChIKey is BABOXBMDENPOCU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16ClN5O3/c22-14-6-2-4-8-16(14)27-19-13(10-24-27)21(9-18(29)25-19)12-5-1-3-7-15(12)26(20(21)30)11-17(23)28/h1-8,10H,9,11H2,(H2,23,28)(H,25,29)/t21-/m1/s1.
What are the key properties of 2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide has a molecular weight of 421.84 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 135902197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).