(4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C23H22N4O2 — CID 135953505

IUPAC(4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCc1ccc(Cn2ncc3c2NC(=O)C[C@@]32C(=O)N(C)c3ccc(C)cc32)cc1
InChIInChI=1S/C23H22N4O2/c1-14-4-7-16(8-5-14)13-27-21-18(12-24-27)23(11-20(28)25-21)17-10-15(2)6-9-19(17)26(3)22(23)29/h4-10,12H,11,13H2,1-3H3,(H,25,28)/t23-/m0/s1
InChIKeyWFYKKMQXWACHGP-QHCPKHFHSA-N
MW386.46 g/mol
LogP3.15
Rot. Bonds2

About (4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

(4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135953505) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135953505
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCc1ccc(Cn2ncc3c2NC(=O)C[C@@]32C(=O)N(C)c3ccc(C)cc32)cc1
InChIInChI=1S/C23H22N4O2/c1-14-4-7-16(8-5-14)13-27-21-18(12-24-27)23(11-20(28)25-21)17-10-15(2)6-9-19(17)26(3)22(23)29/h4-10,12H,11,13H2,1-3H3,(H,25,28)/t23-/m0/s1
InChIKeyWFYKKMQXWACHGP-QHCPKHFHSA-N
XLogP3.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-5'-chloro-1'-methyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940729
1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654953
(4R)-1',5'-dimethylspiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135898351
(4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135882829
1-tert-butyl-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655683
1-(4-chlorophenyl)-5'-methyl-1'-prop-2-enylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655591
5'-chloro-1-(2,4-dimethylphenyl)-1'-ethylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654722
(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
1-(3-chlorophenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654947
1'-[(4-chlorophenyl)methyl]-5-methoxyspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 136934952
5'-bromo-1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654889

Frequently Asked Questions

What is the IUPAC name of (4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135953505) is (4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is Cc1ccc(Cn2ncc3c2NC(=O)C[C@@]32C(=O)N(C)c3ccc(C)cc32)cc1.
What is the InChIKey of (4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is WFYKKMQXWACHGP-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14-4-7-16(8-5-14)13-27-21-18(12-24-27)23(11-20(28)25-21)17-10-15(2)6-9-19(17)26(3)22(23)29/h4-10,12H,11,13H2,1-3H3,(H,25,28)/t23-/m0/s1.
What are the key properties of (4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 386.46 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135953505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).