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

C23H21N5O3 — CID 135882834

IUPAC2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
SMILESCc1cccc(-n2ncc3c2NC(=O)C[C@]32C(=O)N(CC(N)=O)c3ccccc32)c1C
InChIInChI=1S/C23H21N5O3/c1-13-6-5-9-17(14(13)2)28-21-16(11-25-28)23(10-20(30)26-21)15-7-3-4-8-18(15)27(22(23)31)12-19(24)29/h3-9,11H,10,12H2,1-2H3,(H2,24,29)(H,26,30)/t23-/m1/s1
InChIKeyKVYIJULDBSFYDB-HSZRJFAPSA-N
MW415.45 g/mol
LogP1.95
Rot. Bonds3

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

2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide (PubChem CID 135882834) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
PubChem CID135882834
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
SMILESCc1cccc(-n2ncc3c2NC(=O)C[C@]32C(=O)N(CC(N)=O)c3ccccc32)c1C
InChIInChI=1S/C23H21N5O3/c1-13-6-5-9-17(14(13)2)28-21-16(11-25-28)23(10-20(30)26-21)15-7-3-4-8-18(15)27(22(23)31)12-19(24)29/h3-9,11H,10,12H2,1-2H3,(H2,24,29)(H,26,30)/t23-/m1/s1
InChIKeyKVYIJULDBSFYDB-HSZRJFAPSA-N
XLogP1.95
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The IUPAC name of 2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide (CID 135882834) is 2-[(4R)-1-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The canonical SMILES for 2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide is Cc1cccc(-n2ncc3c2NC(=O)C[C@]32C(=O)N(CC(N)=O)c3ccccc32)c1C.
What is the InChIKey of 2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The InChIKey is KVYIJULDBSFYDB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-13-6-5-9-17(14(13)2)28-21-16(11-25-28)23(10-20(30)26-21)15-7-3-4-8-18(15)27(22(23)31)12-19(24)29/h3-9,11H,10,12H2,1-2H3,(H2,24,29)(H,26,30)/t23-/m1/s1.
What are the key properties of 2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 135882834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).