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

C19H13Cl2N5O2 — CID 136934942

IUPAC5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1CC2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cn3)c2N1
InChIInChI=1S/C19H13Cl2N5O2/c20-10-2-4-15-13(5-10)19(18(28)24-15)6-16(27)25-17-14(19)8-23-26(17)9-12-3-1-11(21)7-22-12/h1-5,7-8H,6,9H2,(H,24,28)(H,25,27)
InChIKeyCJSKPJCVKQJJEG-UHFFFAOYSA-N
MW414.25 g/mol
LogP3.21
Rot. Bonds2

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

5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (PubChem CID 136934942) has the molecular formula C19H13Cl2N5O2 and a molecular weight of 414.25 g/mol. Its IUPAC name is 5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.

Molecular Properties

Compound Name5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
PubChem CID136934942
Molecular FormulaC19H13Cl2N5O2
Molecular Weight414.25 g/mol
Exact Mass413.04
IUPAC Name5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
SMILESO=C1CC2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cn3)c2N1
InChIInChI=1S/C19H13Cl2N5O2/c20-10-2-4-15-13(5-10)19(18(28)24-15)6-16(27)25-17-14(19)8-23-26(17)9-12-3-1-11(21)7-22-12/h1-5,7-8H,6,9H2,(H,24,28)(H,25,27)
InChIKeyCJSKPJCVKQJJEG-UHFFFAOYSA-N
XLogP3.21
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.25
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The IUPAC name of 5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione (CID 136934942) is 5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione.
What is the SMILES notation for 5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The canonical SMILES for 5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is O=C1CC2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cn3)c2N1.
What is the InChIKey of 5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
The InChIKey is CJSKPJCVKQJJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O2/c20-10-2-4-15-13(5-10)19(18(28)24-15)6-16(27)25-17-14(19)8-23-26(17)9-12-3-1-11(21)7-22-12/h1-5,7-8H,6,9H2,(H,24,28)(H,25,27).
What are the key properties of 5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione?
5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione has a molecular weight of 414.25 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[(5-chloro-2-pyridinyl)methyl]spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione is sourced from PubChem (CID 136934942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).