5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile

C30H31N5O2 — CID 53390281

IUPAC5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ccc(C#N)nc5)ccc42)C3)nc1
InChIInChI=1S/C30H31N5O2/c1-37-26-7-6-24(33-18-26)15-29(36)34-12-10-30(11-13-34)19-35(20-30)28-9-4-22-14-21(3-8-27(22)28)23-2-5-25(16-31)32-17-23/h2-3,5-8,14,17-18,28H,4,9-13,15,19-20H2,1H3
InChIKeyDLMYHECCOJNUPK-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.18
Rot. Bonds5

About 5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile

5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile (PubChem CID 53390281) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile
PubChem CID53390281
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ccc(C#N)nc5)ccc42)C3)nc1
InChIInChI=1S/C30H31N5O2/c1-37-26-7-6-24(33-18-26)15-29(36)34-12-10-30(11-13-34)19-35(20-30)28-9-4-22-14-21(3-8-27(22)28)23-2-5-25(16-31)32-17-23/h2-3,5-8,14,17-18,28H,4,9-13,15,19-20H2,1H3
InChIKeyDLMYHECCOJNUPK-UHFFFAOYSA-N
XLogP4.18
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile (CID 53390281) is 5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile is COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ccc(C#N)nc5)ccc42)C3)nc1.
What is the InChIKey of 5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile?
The InChIKey is DLMYHECCOJNUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-37-26-7-6-24(33-18-26)15-29(36)34-12-10-30(11-13-34)19-35(20-30)28-9-4-22-14-21(3-8-27(22)28)23-2-5-25(16-31)32-17-23/h2-3,5-8,14,17-18,28H,4,9-13,15,19-20H2,1H3.
What are the key properties of 5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile?
5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile has a molecular weight of 493.61 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 53390281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).