7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione

C16H15ClN4O3 — CID 53367723

IUPAC7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC21C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C16H15ClN4O3/c1-7(2)21-13-11(14(23)20-21)16(6-10(22)18-13)8-4-3-5-9(17)12(8)19-15(16)24/h3-5,7H,6H2,1-2H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyPSGHUKAUPWVDNF-UHFFFAOYSA-N
MW346.77 g/mol
LogP1.99
Rot. Bonds1

About 7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione

7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione (PubChem CID 53367723) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione.

Molecular Properties

Compound Name7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione
PubChem CID53367723
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione
SMILESCC(C)n1[nH]c(=O)c2c1NC(=O)CC21C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C16H15ClN4O3/c1-7(2)21-13-11(14(23)20-21)16(6-10(22)18-13)8-4-3-5-9(17)12(8)19-15(16)24/h3-5,7H,6H2,1-2H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyPSGHUKAUPWVDNF-UHFFFAOYSA-N
XLogP1.99
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione?
The IUPAC name of 7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione (CID 53367723) is 7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione.
What is the SMILES notation for 7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione?
The canonical SMILES for 7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione is CC(C)n1[nH]c(=O)c2c1NC(=O)CC21C(=O)Nc2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione?
The InChIKey is PSGHUKAUPWVDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-7(2)21-13-11(14(23)20-21)16(6-10(22)18-13)8-4-3-5-9(17)12(8)19-15(16)24/h3-5,7H,6H2,1-2H3,(H,18,22)(H,19,24)(H,20,23).
What are the key properties of 7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione?
7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione has a molecular weight of 346.77 g/mol, XLogP of 1.99, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydro-2H-pyrazolo[3,4-b]pyridine]-2,3',6'-trione is sourced from PubChem (CID 53367723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).