(4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C23H22N4O3 — CID 135941005

IUPAC(4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(OC)cc2)c2cc(C)ccc21
InChIInChI=1S/C23H22N4O3/c1-4-26-19-10-5-14(2)11-17(19)23(22(26)29)12-20(28)25-21-18(23)13-24-27(21)15-6-8-16(30-3)9-7-15/h5-11,13H,4,12H2,1-3H3,(H,25,28)/t23-/m0/s1
InChIKeyXATHGBRBCKOBOR-QHCPKHFHSA-N
MW402.45 g/mol
LogP3.18
Rot. Bonds3

About (4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

(4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135941005) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is (4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135941005
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name(4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(OC)cc2)c2cc(C)ccc21
InChIInChI=1S/C23H22N4O3/c1-4-26-19-10-5-14(2)11-17(19)23(22(26)29)12-20(28)25-21-18(23)13-24-27(21)15-6-8-16(30-3)9-7-15/h5-11,13H,4,12H2,1-3H3,(H,25,28)/t23-/m0/s1
InChIKeyXATHGBRBCKOBOR-QHCPKHFHSA-N
XLogP3.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
(4S)-1-(3-chlorophenyl)-1'-ethyl-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135882829
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
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-(4-methoxyphenyl)-1'-(2-methylpropyl)spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940862
1'-ethyl-1-[4-(trifluoromethoxy)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655611
1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654613
1-(3,4-dimethylphenyl)-1'-ethyl-6'-fluorospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654482
(3S)-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950536
(4S)-1'-ethyl-7'-methyl-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941042

Frequently Asked Questions

What is the IUPAC name of (4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135941005) is (4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(OC)cc2)c2cc(C)ccc21.
What is the InChIKey of (4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is XATHGBRBCKOBOR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-4-26-19-10-5-14(2)11-17(19)23(22(26)29)12-20(28)25-21-18(23)13-24-27(21)15-6-8-16(30-3)9-7-15/h5-11,13H,4,12H2,1-3H3,(H,25,28)/t23-/m0/s1.
What are the key properties of (4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 402.45 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-ethyl-1-(4-methoxyphenyl)-5'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135941005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).