1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine

C22H31N3 — CID 163218663

IUPAC1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine
SMILESC=C(C(C)CC)N1CC2(CCC(c3cn(C)c4ncccc34)CC2)C1
InChIInChI=1S/C22H31N3/c1-5-16(2)17(3)25-14-22(15-25)10-8-18(9-11-22)20-13-24(4)21-19(20)7-6-12-23-21/h6-7,12-13,16,18H,3,5,8-11,14-15H2,1-2,4H3
InChIKeyRJVCSGNKPBWOPT-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.09
Rot. Bonds4

About 1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine

1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine (PubChem CID 163218663) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine
PubChem CID163218663
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine
SMILESC=C(C(C)CC)N1CC2(CCC(c3cn(C)c4ncccc34)CC2)C1
InChIInChI=1S/C22H31N3/c1-5-16(2)17(3)25-14-22(15-25)10-8-18(9-11-22)20-13-24(4)21-19(20)7-6-12-23-21/h6-7,12-13,16,18H,3,5,8-11,14-15H2,1-2,4H3
InChIKeyRJVCSGNKPBWOPT-UHFFFAOYSA-N
XLogP5.09
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine (CID 163218663) is 1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine is C=C(C(C)CC)N1CC2(CCC(c3cn(C)c4ncccc34)CC2)C1.
What is the InChIKey of 1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine?
The InChIKey is RJVCSGNKPBWOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-5-16(2)17(3)25-14-22(15-25)10-8-18(9-11-22)20-13-24(4)21-19(20)7-6-12-23-21/h6-7,12-13,16,18H,3,5,8-11,14-15H2,1-2,4H3.
What are the key properties of 1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine?
1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine has a molecular weight of 337.51 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(3-methylpent-1-en-2-yl)-2-azaspiro[3.5]nonan-7-yl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 163218663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).