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

C21H15ClN4O4 — CID 136954870

IUPAC(4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione
SMILESO=C1C[C@]2(C(=O)Nc3cc4c(cc32)OCO4)c2cnn(Cc3ccc(Cl)cc3)c2N1
InChIInChI=1S/C21H15ClN4O4/c22-12-3-1-11(2-4-12)9-26-19-14(8-23-26)21(7-18(27)25-19)13-5-16-17(30-10-29-16)6-15(13)24-20(21)28/h1-6,8H,7,9-10H2,(H,24,28)(H,25,27)/t21-/m1/s1
InChIKeyLVUJCMTZMATURE-OAQYLSRUSA-N
MW422.83 g/mol
LogP2.89
Rot. Bonds2

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

(4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione (PubChem CID 136954870) has the molecular formula C21H15ClN4O4 and a molecular weight of 422.83 g/mol. Its IUPAC name is (4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione.

Molecular Properties

Compound Name(4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione
PubChem CID136954870
Molecular FormulaC21H15ClN4O4
Molecular Weight422.83 g/mol
Exact Mass422.08
IUPAC Name(4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione
SMILESO=C1C[C@]2(C(=O)Nc3cc4c(cc32)OCO4)c2cnn(Cc3ccc(Cl)cc3)c2N1
InChIInChI=1S/C21H15ClN4O4/c22-12-3-1-11(2-4-12)9-26-19-14(8-23-26)21(7-18(27)25-19)13-5-16-17(30-10-29-16)6-15(13)24-20(21)28/h1-6,8H,7,9-10H2,(H,24,28)(H,25,27)/t21-/m1/s1
InChIKeyLVUJCMTZMATURE-OAQYLSRUSA-N
XLogP2.89
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.83
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[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 (4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione?
The IUPAC name of (4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione (CID 136954870) is (4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione.
What is the SMILES notation for (4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione?
The canonical SMILES for (4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione is O=C1C[C@]2(C(=O)Nc3cc4c(cc32)OCO4)c2cnn(Cc3ccc(Cl)cc3)c2N1.
What is the InChIKey of (4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione?
The InChIKey is LVUJCMTZMATURE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H15ClN4O4/c22-12-3-1-11(2-4-12)9-26-19-14(8-23-26)21(7-18(27)25-19)13-5-16-17(30-10-29-16)6-15(13)24-20(21)28/h1-6,8H,7,9-10H2,(H,24,28)(H,25,27)/t21-/m1/s1.
What are the key properties of (4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione?
(4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione has a molecular weight of 422.83 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(4-chlorophenyl)methyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,7'-5H-[1,3]dioxolo[4,5-f]indole]-6,6'-dione is sourced from PubChem (CID 136954870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).