(4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C23H18N4O2 — CID 135882875

IUPAC(4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESC#CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2)c2cccc(C)c21
InChIInChI=1S/C23H18N4O2/c1-3-12-26-20-15(2)8-7-11-17(20)23(22(26)29)13-19(28)25-21-18(23)14-24-27(21)16-9-5-4-6-10-16/h1,4-11,14H,12-13H2,2H3,(H,25,28)/t23-/m0/s1
InChIKeyIMXMAVVHPBMZDZ-QHCPKHFHSA-N
MW382.42 g/mol
LogP2.79
Rot. Bonds2

About (4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

(4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135882875) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is (4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135882875
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name(4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESC#CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2)c2cccc(C)c21
InChIInChI=1S/C23H18N4O2/c1-3-12-26-20-15(2)8-7-11-17(20)23(22(26)29)13-19(28)25-21-18(23)14-24-27(21)16-9-5-4-6-10-16/h1,4-11,14H,12-13H2,2H3,(H,25,28)/t23-/m0/s1
InChIKeyIMXMAVVHPBMZDZ-QHCPKHFHSA-N
XLogP2.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-7'-methyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655296
(4S)-1-(3,4-dimethylphenyl)-7'-methyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940784
(4S)-1'-ethyl-7'-methyl-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941042
1-(4-chlorophenyl)-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135655777
(4S)-7'-chloro-1'-(2-methylpropyl)-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953596
(4S)-5'-fluoro-1-(2-methylphenyl)-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940658
(4R)-6'-fluoro-1-(2-methylphenyl)-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135940980
(4S)-7'-chloro-1-(3,4-dimethylphenyl)-1'-ethylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953756
(4S)-1'-(2-methylpropyl)-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135902670
(3R)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902237
(3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902236
2-[(4R)-1-(2,3-dimethylphenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135882834

Frequently Asked Questions

What is the IUPAC name of (4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of (4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135882875) is (4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for (4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for (4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is C#CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2)c2cccc(C)c21.
What is the InChIKey of (4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is IMXMAVVHPBMZDZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-3-12-26-20-15(2)8-7-11-17(20)23(22(26)29)13-19(28)25-21-18(23)14-24-27(21)16-9-5-4-6-10-16/h1,4-11,14H,12-13H2,2H3,(H,25,28)/t23-/m0/s1.
What are the key properties of (4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
(4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 382.42 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135882875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).