5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine

C34H41N5O — CID 167047411

IUPAC5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc(N2CCC3(CC2)CC(N2CCCC2c2ccccc2C(C)C)C3)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C34H41N5O/c1-23(2)28-7-4-5-8-29(28)30-9-6-14-39(30)26-19-34(20-26)11-15-38(16-12-34)32-18-31(24(3)21-36-32)40-27-17-25-10-13-35-33(25)37-22-27/h4-5,7-8,10,13,17-18,21-23,26,30H,6,9,11-12,14-16,19-20H2,1-3H3,(H,35,37)
InChIKeyZTAZEEMWZISBLX-UHFFFAOYSA-N
MW535.74 g/mol
LogP7.77
Rot. Bonds6

About 5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine

5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 167047411) has the molecular formula C34H41N5O and a molecular weight of 535.74 g/mol. Its IUPAC name is 5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine
PubChem CID167047411
Molecular FormulaC34H41N5O
Molecular Weight535.74 g/mol
Exact Mass535.33
IUPAC Name5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc(N2CCC3(CC2)CC(N2CCCC2c2ccccc2C(C)C)C3)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C34H41N5O/c1-23(2)28-7-4-5-8-29(28)30-9-6-14-39(30)26-19-34(20-26)11-15-38(16-12-34)32-18-31(24(3)21-36-32)40-27-17-25-10-13-35-33(25)37-22-27/h4-5,7-8,10,13,17-18,21-23,26,30H,6,9,11-12,14-16,19-20H2,1-3H3,(H,35,37)
InChIKeyZTAZEEMWZISBLX-UHFFFAOYSA-N
XLogP7.77
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.74
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine (CID 167047411) is 5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine is Cc1cnc(N2CCC3(CC2)CC(N2CCCC2c2ccccc2C(C)C)C3)cc1Oc1cnc2[nH]ccc2c1.
What is the InChIKey of 5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZTAZEEMWZISBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O/c1-23(2)28-7-4-5-8-29(28)30-9-6-14-39(30)26-19-34(20-26)11-15-38(16-12-34)32-18-31(24(3)21-36-32)40-27-17-25-10-13-35-33(25)37-22-27/h4-5,7-8,10,13,17-18,21-23,26,30H,6,9,11-12,14-16,19-20H2,1-3H3,(H,35,37).
What are the key properties of 5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine?
5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 535.74 g/mol, XLogP of 7.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-2-[2-[2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-4-pyridinyl]oxy]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167047411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).