5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine

C30H34N4O — CID 144859482

IUPAC5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(CN2CC3(CCN(c4cnc5c(ccn5Cc5ccc(C)cc5)c4)CC3)C2)cc1
InChIInChI=1S/C30H34N4O/c1-23-3-5-25(6-4-23)20-34-14-11-26-17-27(18-31-29(26)34)33-15-12-30(13-16-33)21-32(22-30)19-24-7-9-28(35-2)10-8-24/h3-11,14,17-18H,12-13,15-16,19-22H2,1-2H3
InChIKeyDWKUZVFAXOGMFG-UHFFFAOYSA-N
MW466.63 g/mol
LogP5.50
Rot. Bonds6

About 5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine

5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine (PubChem CID 144859482) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is 5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine
PubChem CID144859482
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC Name5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(CN2CC3(CCN(c4cnc5c(ccn5Cc5ccc(C)cc5)c4)CC3)C2)cc1
InChIInChI=1S/C30H34N4O/c1-23-3-5-25(6-4-23)20-34-14-11-26-17-27(18-31-29(26)34)33-15-12-30(13-16-33)21-32(22-30)19-24-7-9-28(35-2)10-8-24/h3-11,14,17-18H,12-13,15-16,19-22H2,1-2H3
InChIKeyDWKUZVFAXOGMFG-UHFFFAOYSA-N
XLogP5.50
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine (CID 144859482) is 5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine is COc1ccc(CN2CC3(CCN(c4cnc5c(ccn5Cc5ccc(C)cc5)c4)CC3)C2)cc1.
What is the InChIKey of 5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine?
The InChIKey is DWKUZVFAXOGMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O/c1-23-3-5-25(6-4-23)20-34-14-11-26-17-27(18-31-29(26)34)33-15-12-30(13-16-33)21-32(22-30)19-24-7-9-28(35-2)10-8-24/h3-11,14,17-18H,12-13,15-16,19-22H2,1-2H3.
What are the key properties of 5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine?
5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine has a molecular weight of 466.63 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 144859482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).