5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione

C21H15ClN4O4 — CID 137012461

IUPAC5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione
SMILESO=C1CC2(C(=O)N(Cc3ccc(Cl)cc3)c3cc4c(cc32)OCO4)c2cn[nH]c2N1
InChIInChI=1S/C21H15ClN4O4/c22-12-3-1-11(2-4-12)9-26-15-6-17-16(29-10-30-17)5-13(15)21(20(26)28)7-18(27)24-19-14(21)8-23-25-19/h1-6,8H,7,9-10H2,(H2,23,24,25,27)
InChIKeyNWBIXFUCQQQFIK-UHFFFAOYSA-N
MW422.83 g/mol
LogP2.97
Rot. Bonds2

About 5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione

5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione (PubChem CID 137012461) has the molecular formula C21H15ClN4O4 and a molecular weight of 422.83 g/mol. Its IUPAC name is 5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione.

Molecular Properties

Compound Name5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione
PubChem CID137012461
Molecular FormulaC21H15ClN4O4
Molecular Weight422.83 g/mol
Exact Mass422.08
IUPAC Name5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione
SMILESO=C1CC2(C(=O)N(Cc3ccc(Cl)cc3)c3cc4c(cc32)OCO4)c2cn[nH]c2N1
InChIInChI=1S/C21H15ClN4O4/c22-12-3-1-11(2-4-12)9-26-15-6-17-16(29-10-30-17)5-13(15)21(20(26)28)7-18(27)24-19-14(21)8-23-25-19/h1-6,8H,7,9-10H2,(H2,23,24,25,27)
InChIKeyNWBIXFUCQQQFIK-UHFFFAOYSA-N
XLogP2.97
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.83
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione?
The IUPAC name of 5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione (CID 137012461) is 5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione.
What is the SMILES notation for 5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione?
The canonical SMILES for 5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione is O=C1CC2(C(=O)N(Cc3ccc(Cl)cc3)c3cc4c(cc32)OCO4)c2cn[nH]c2N1.
What is the InChIKey of 5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione?
The InChIKey is NWBIXFUCQQQFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O4/c22-12-3-1-11(2-4-12)9-26-15-6-17-16(29-10-30-17)5-13(15)21(20(26)28)7-18(27)24-19-14(21)8-23-25-19/h1-6,8H,7,9-10H2,(H2,23,24,25,27).
What are the key properties of 5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione?
5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione has a molecular weight of 422.83 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[(4-chlorophenyl)methyl]spiro[5,7-dihydro-1H-pyrazolo[5,4-b]pyridine-4,7'-[1,3]dioxolo[4,5-f]indole]-6,6'-dione is sourced from PubChem (CID 137012461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).