(3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

C19H13ClN4O2 — CID 135902236

IUPAC(3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1C[C@@]2(C(=O)Nc3c(Cl)cccc32)c2cnn(-c3ccccc3)c2N1
InChIInChI=1S/C19H13ClN4O2/c20-14-8-4-7-12-16(14)23-18(26)19(12)9-15(25)22-17-13(19)10-21-24(17)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,22,25)(H,23,26)/t19-/m0/s1
InChIKeyGRPMAZVNMROVSD-IBGZPJMESA-N
MW364.79 g/mol
LogP3.11
Rot. Bonds1

About (3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione

(3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 135902236) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is (3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name(3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID135902236
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name(3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1C[C@@]2(C(=O)Nc3c(Cl)cccc32)c2cnn(-c3ccccc3)c2N1
InChIInChI=1S/C19H13ClN4O2/c20-14-8-4-7-12-16(14)23-18(26)19(12)9-15(25)22-17-13(19)10-21-24(17)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,22,25)(H,23,26)/t19-/m0/s1
InChIKeyGRPMAZVNMROVSD-IBGZPJMESA-N
XLogP3.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135902237
(3R)-7-chloro-1'-(3-fluorophenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950814
(3S)-7-chloro-1'-(2-methylphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950726
(3S)-7-chloro-1'-[4-(trifluoromethoxy)phenyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953467
(3R)-1'-(3,5-dimethylphenyl)-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135940703
(4S)-7'-chloro-1'-(2-methylpropyl)-1-phenylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135953596
(3S)-4-chloro-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950697
(3R)-1'-[(2-chlorophenyl)methyl]-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953827
(3S)-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950536
(3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135898352
(4S)-7'-methyl-1-phenyl-1'-prop-2-ynylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135882875
(3S)-1'-tert-butyl-7-methylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135953608

Frequently Asked Questions

What is the IUPAC name of (3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of (3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 135902236) is (3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for (3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for (3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is O=C1C[C@@]2(C(=O)Nc3c(Cl)cccc32)c2cnn(-c3ccccc3)c2N1.
What is the InChIKey of (3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is GRPMAZVNMROVSD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-14-8-4-7-12-16(14)23-18(26)19(12)9-15(25)22-17-13(19)10-21-24(17)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,22,25)(H,23,26)/t19-/m0/s1.
What are the key properties of (3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
(3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 364.79 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-chloro-1'-phenylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 135902236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).