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

C16H14Cl2N4O2 — CID 136899854

IUPAC(3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCC(C)n1ncc2c1NC(=O)C[C@@]21C(=O)Nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C16H14Cl2N4O2/c1-7(2)22-14-9(6-19-22)16(5-12(23)21-14)13-10(18)3-8(17)4-11(13)20-15(16)24/h3-4,6-7H,5H2,1-2H3,(H,20,24)(H,21,23)/t16-/m1/s1
InChIKeyPFAGWWURYKYCTP-MRXNPFEDSA-N
MW365.22 g/mol
LogP3.35
Rot. Bonds1

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

(3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 136899854) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is (3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name(3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID136899854
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name(3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESCC(C)n1ncc2c1NC(=O)C[C@@]21C(=O)Nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C16H14Cl2N4O2/c1-7(2)22-14-9(6-19-22)16(5-12(23)21-14)13-10(18)3-8(17)4-11(13)20-15(16)24/h3-4,6-7H,5H2,1-2H3,(H,20,24)(H,21,23)/t16-/m1/s1
InChIKeyPFAGWWURYKYCTP-MRXNPFEDSA-N
XLogP3.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of (3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 136899854) is (3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for (3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for (3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is CC(C)n1ncc2c1NC(=O)C[C@@]21C(=O)Nc2cc(Cl)cc(Cl)c21.
What is the InChIKey of (3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is PFAGWWURYKYCTP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c1-7(2)22-14-9(6-19-22)16(5-12(23)21-14)13-10(18)3-8(17)4-11(13)20-15(16)24/h3-4,6-7H,5H2,1-2H3,(H,20,24)(H,21,23)/t16-/m1/s1.
What are the key properties of (3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
(3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 365.22 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,6-dichloro-1'-propan-2-ylspiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 136899854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).