(4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C22H17N5O3S — CID 135953641

IUPAC(4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCOc1ccc2nc(-n3ncc4c3NC(=O)C[C@]43C(=O)N(C)c4ccccc43)sc2c1
InChIInChI=1S/C22H17N5O3S/c1-26-16-6-4-3-5-13(16)22(20(26)29)10-18(28)25-19-14(22)11-23-27(19)21-24-15-8-7-12(30-2)9-17(15)31-21/h3-9,11H,10H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyAAVXKQUVWCAZIV-JOCHJYFZSA-N
MW431.48 g/mol
LogP3.10
Rot. Bonds2

About (4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

(4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135953641) has the molecular formula C22H17N5O3S and a molecular weight of 431.48 g/mol. Its IUPAC name is (4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135953641
Molecular FormulaC22H17N5O3S
Molecular Weight431.48 g/mol
Exact Mass431.11
IUPAC Name(4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCOc1ccc2nc(-n3ncc4c3NC(=O)C[C@]43C(=O)N(C)c4ccccc43)sc2c1
InChIInChI=1S/C22H17N5O3S/c1-26-16-6-4-3-5-13(16)22(20(26)29)10-18(28)25-19-14(22)11-23-27(19)21-24-15-8-7-12(30-2)9-17(15)31-21/h3-9,11H,10H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyAAVXKQUVWCAZIV-JOCHJYFZSA-N
XLogP3.10
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione with MolForge

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Related Compounds

1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654613
5-fluoro-1'-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135655807
5'-bromo-1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654889
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
1-(3-chlorophenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654947
(4R)-1-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940862
(4S)-1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941040
(4R)-4-(3-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136792975
(4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136792970
(4R)-4-(2,3-dimethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136792954
(4S)-4-(1,3-benzodioxol-5-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793002
(4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135930930

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135953641) is (4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is COc1ccc2nc(-n3ncc4c3NC(=O)C[C@]43C(=O)N(C)c4ccccc43)sc2c1.
What is the InChIKey of (4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is AAVXKQUVWCAZIV-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H17N5O3S/c1-26-16-6-4-3-5-13(16)22(20(26)29)10-18(28)25-19-14(22)11-23-27(19)21-24-15-8-7-12(30-2)9-17(15)31-21/h3-9,11H,10H2,1-2H3,(H,25,28)/t22-/m1/s1.
What are the key properties of (4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 431.48 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135953641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).