1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C24H23ClN4O2 — CID 135654953

IUPAC1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCC(C)c1ccc2c(c1)C1(CC(=O)Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2C
InChIInChI=1S/C24H23ClN4O2/c1-14(2)15-8-9-20-17(10-15)24(23(31)28(20)3)11-21(30)27-22-18(24)12-26-29(22)13-16-6-4-5-7-19(16)25/h4-10,12,14H,11,13H2,1-3H3,(H,27,30)
InChIKeyCLYVKDGUZROTRI-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.31
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135654953) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135654953
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCC(C)c1ccc2c(c1)C1(CC(=O)Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2C
InChIInChI=1S/C24H23ClN4O2/c1-14(2)15-8-9-20-17(10-15)24(23(31)28(20)3)11-21(30)27-22-18(24)12-26-29(22)13-16-6-4-5-7-19(16)25/h4-10,12,14H,11,13H2,1-3H3,(H,27,30)
InChIKeyCLYVKDGUZROTRI-UHFFFAOYSA-N
XLogP4.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1'-[(2-chlorophenyl)methyl]-5-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953475
(4S)-1',5'-dimethyl-1-[(4-methylphenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953505
(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
(3R)-1'-[(2-chlorophenyl)methyl]-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953827
1-(3-chlorophenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654947
1'-methyl-2',5-dioxo-3-phenyl-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
CID 42653428
1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654543
1-(4-methoxyphenyl)-1'-methylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135654613
(4S)-1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941040
(4S)-7'-chloro-1'-(2-methylpropyl)-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953596
2-[(4R)-1-(2-chlorophenyl)-2',6-dioxospiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-1'-yl]acetamide
CID 135902197
1-[(2-chlorophenyl)methyl]-4-(1,2-thiazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169414820

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of 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) is 1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is CC(C)c1ccc2c(c1)C1(CC(=O)Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2C.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is CLYVKDGUZROTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-14(2)15-8-9-20-17(10-15)24(23(31)28(20)3)11-21(30)27-22-18(24)12-26-29(22)13-16-6-4-5-7-19(16)25/h4-10,12,14H,11,13H2,1-3H3,(H,27,30).
What are the key properties of 1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 434.93 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1'-methyl-5'-propan-2-ylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135654953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).