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

C23H21N5O4 — CID 135953445

IUPAC2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
SMILESCOc1ccc(-n2ncc3c2NC(=O)C[C@@]32C(=O)N(CC(N)=O)c3ccc(C)cc32)cc1
InChIInChI=1S/C23H21N5O4/c1-13-3-8-18-16(9-13)23(22(31)27(18)12-19(24)29)10-20(30)26-21-17(23)11-25-28(21)14-4-6-15(32-2)7-5-14/h3-9,11H,10,12H2,1-2H3,(H2,24,29)(H,26,30)/t23-/m0/s1
InChIKeyVBWGGAPBTXMVRD-QHCPKHFHSA-N
MW431.45 g/mol
LogP1.65
Rot. Bonds4

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

2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide (PubChem CID 135953445) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
PubChem CID135953445
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
SMILESCOc1ccc(-n2ncc3c2NC(=O)C[C@@]32C(=O)N(CC(N)=O)c3ccc(C)cc32)cc1
InChIInChI=1S/C23H21N5O4/c1-13-3-8-18-16(9-13)23(22(31)27(18)12-19(24)29)10-20(30)26-21-17(23)11-25-28(21)14-4-6-15(32-2)7-5-14/h3-9,11H,10,12H2,1-2H3,(H2,24,29)(H,26,30)/t23-/m0/s1
InChIKeyVBWGGAPBTXMVRD-QHCPKHFHSA-N
XLogP1.65
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941006
(4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941005
5'-bromo-1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654889
1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655591
(4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940862
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-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882834
2-[1-(2-ethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135654541
(4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135882829
1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654613
2-[(4R)-1-(2,4-difluorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135953767
2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135902197

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The IUPAC name of 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) is 2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide.
What is the SMILES notation for 2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The canonical SMILES for 2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide is COc1ccc(-n2ncc3c2NC(=O)C[C@@]32C(=O)N(CC(N)=O)c3ccc(C)cc32)cc1.
What is the InChIKey of 2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
The InChIKey is VBWGGAPBTXMVRD-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-13-3-8-18-16(9-13)23(22(31)27(18)12-19(24)29)10-20(30)26-21-17(23)11-25-28(21)14-4-6-15(32-2)7-5-14/h3-9,11H,10,12H2,1-2H3,(H2,24,29)(H,26,30)/t23-/m0/s1.
What are the key properties of 2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide?
2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide has a molecular weight of 431.45 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-(4-methoxyphenyl)-5'-methyl-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 135953445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).