(4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione

C19H21ClN4O3 — CID 95389099

IUPAC(4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
SMILESCC(C)N1C(=O)[C@@]2(CC(=O)Nc3c2c(=O)[nH]n3C(C)C)c2cc(Cl)ccc21
InChIInChI=1S/C19H21ClN4O3/c1-9(2)23-13-6-5-11(20)7-12(13)19(18(23)27)8-14(25)21-16-15(19)17(26)22-24(16)10(3)4/h5-7,9-10H,8H2,1-4H3,(H,21,25)(H,22,26)/t19-/m0/s1
InChIKeyDRQXURXAFFGSSB-IBGZPJMESA-N
MW388.86 g/mol
LogP2.79
Rot. Bonds2

About (4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione

(4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione (PubChem CID 95389099) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is (4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione.

Molecular Properties

Compound Name(4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
PubChem CID95389099
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name(4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione
SMILESCC(C)N1C(=O)[C@@]2(CC(=O)Nc3c2c(=O)[nH]n3C(C)C)c2cc(Cl)ccc21
InChIInChI=1S/C19H21ClN4O3/c1-9(2)23-13-6-5-11(20)7-12(13)19(18(23)27)8-14(25)21-16-15(19)17(26)22-24(16)10(3)4/h5-7,9-10H,8H2,1-4H3,(H,21,25)(H,22,26)/t19-/m0/s1
InChIKeyDRQXURXAFFGSSB-IBGZPJMESA-N
XLogP2.79
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The IUPAC name of (4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione (CID 95389099) is (4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione.
What is the SMILES notation for (4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The canonical SMILES for (4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione is CC(C)N1C(=O)[C@@]2(CC(=O)Nc3c2c(=O)[nH]n3C(C)C)c2cc(Cl)ccc21.
What is the InChIKey of (4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
The InChIKey is DRQXURXAFFGSSB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-9(2)23-13-6-5-11(20)7-12(13)19(18(23)27)8-14(25)21-16-15(19)17(26)22-24(16)10(3)4/h5-7,9-10H,8H2,1-4H3,(H,21,25)(H,22,26)/t19-/m0/s1.
What are the key properties of (4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione?
(4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione has a molecular weight of 388.86 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5'-chloro-1,1'-di(propan-2-yl)spiro[5,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4,3'-indole]-2',3,6-trione is sourced from PubChem (CID 95389099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).