(3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one

C29H23N5O2 — CID 46885242

IUPAC(3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESO=C1CC2CN(Cc3ccc4cc5c(cc4n3)C[C@@]3(C5)C(=O)Nc4ncccc43)c3cccc(c32)N1
InChIInChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-10,19H,11-15H2,(H,32,35)(H,30,33,36)/t19?,29-/m1/s1
InChIKeyQPMNQIHFIPFQSE-CFLNXXHPSA-N
MW473.54 g/mol
LogP4.06
Rot. Bonds2

About (3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one

(3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (PubChem CID 46885242) has the molecular formula C29H23N5O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is (3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.

Molecular Properties

Compound Name(3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
PubChem CID46885242
Molecular FormulaC29H23N5O2
Molecular Weight473.54 g/mol
Exact Mass473.19
IUPAC Name(3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESO=C1CC2CN(Cc3ccc4cc5c(cc4n3)C[C@@]3(C5)C(=O)Nc4ncccc43)c3cccc(c32)N1
InChIInChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-10,19H,11-15H2,(H,32,35)(H,30,33,36)/t19?,29-/m1/s1
InChIKeyQPMNQIHFIPFQSE-CFLNXXHPSA-N
XLogP4.06
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The IUPAC name of (3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (CID 46885242) is (3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.
What is the SMILES notation for (3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The canonical SMILES for (3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is O=C1CC2CN(Cc3ccc4cc5c(cc4n3)C[C@@]3(C5)C(=O)Nc4ncccc43)c3cccc(c32)N1.
What is the InChIKey of (3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The InChIKey is QPMNQIHFIPFQSE-CFLNXXHPSA-N. The full InChI is InChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-10,19H,11-15H2,(H,32,35)(H,30,33,36)/t19?,29-/m1/s1.
What are the key properties of (3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
(3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one has a molecular weight of 473.54 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is sourced from PubChem (CID 46885242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).