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

C21H15F2N5O3 — CID 135953767

IUPAC2-[(4R)-1-(2,4-difluorophenyl)-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-c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C21H15F2N5O3/c22-11-5-6-16(14(23)7-11)28-19-13(9-25-28)21(8-18(30)26-19)12-3-1-2-4-15(12)27(20(21)31)10-17(24)29/h1-7,9H,8,10H2,(H2,24,29)(H,26,30)/t21-/m1/s1
InChIKeyJCJZIIFSAZXJDC-OAQYLSRUSA-N
MW423.38 g/mol
LogP1.61
Rot. Bonds3

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

2-[(4R)-1-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide (PubChem CID 135953767) has the molecular formula C21H15F2N5O3 and a molecular weight of 423.38 g/mol. Its IUPAC name is 2-[(4R)-1-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-1-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
PubChem CID135953767
Molecular FormulaC21H15F2N5O3
Molecular Weight423.38 g/mol
Exact Mass423.11
IUPAC Name2-[(4R)-1-(2,4-difluorophenyl)-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-c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C21H15F2N5O3/c22-11-5-6-16(14(23)7-11)28-19-13(9-25-28)21(8-18(30)26-19)12-3-1-2-4-15(12)27(20(21)31)10-17(24)29/h1-7,9H,8,10H2,(H2,24,29)(H,26,30)/t21-/m1/s1
InChIKeyJCJZIIFSAZXJDC-OAQYLSRUSA-N
XLogP1.61
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135902197
2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135654541
2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882834
2-[1-(3-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135655086
2-[(4R)-1-tert-butyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882908
2-[(4S)-1-(1,3-benzothiazol-2-yl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135953734
(4S)-5'-fluoro-1-(2-methylphenyl)-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940658
2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135953445
(4R)-6'-fluoro-1-(2-methylphenyl)-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940980
1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654543
(4S)-1'-(2-methylpropyl)-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135902670
1-(4-chlorophenyl)-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655777

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The IUPAC name of 2-[(4R)-1-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide (CID 135953767) is 2-[(4R)-1-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The canonical SMILES for 2-[(4R)-1-(2,4-difluorophenyl)-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-c2ccc(F)cc2F)c2ccccc21.
What is the InChIKey of 2-[(4R)-1-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The InChIKey is JCJZIIFSAZXJDC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H15F2N5O3/c22-11-5-6-16(14(23)7-11)28-19-13(9-25-28)21(8-18(30)26-19)12-3-1-2-4-15(12)27(20(21)31)10-17(24)29/h1-7,9H,8,10H2,(H2,24,29)(H,26,30)/t21-/m1/s1.
What are the key properties of 2-[(4R)-1-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
2-[(4R)-1-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide has a molecular weight of 423.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 135953767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).