2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C26H28N6O2 — CID 148511040

IUPAC2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESNc1ccc2c(n1)CCC2CC(=O)c1cn(Cc2ccc(C3CC4CCCN4C3=O)cc2)nn1
InChIInChI=1S/C26H28N6O2/c27-25-10-8-20-18(7-9-22(20)28-25)12-24(33)23-15-31(30-29-23)14-16-3-5-17(6-4-16)21-13-19-2-1-11-32(19)26(21)34/h3-6,8,10,15,18-19,21H,1-2,7,9,11-14H2,(H2,27,28)
InChIKeyMMMZMMMWJCIWEF-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.08
Rot. Bonds6

About 2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 148511040) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID148511040
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESNc1ccc2c(n1)CCC2CC(=O)c1cn(Cc2ccc(C3CC4CCCN4C3=O)cc2)nn1
InChIInChI=1S/C26H28N6O2/c27-25-10-8-20-18(7-9-22(20)28-25)12-24(33)23-15-31(30-29-23)14-16-3-5-17(6-4-16)21-13-19-2-1-11-32(19)26(21)34/h3-6,8,10,15,18-19,21H,1-2,7,9,11-14H2,(H2,27,28)
InChIKeyMMMZMMMWJCIWEF-UHFFFAOYSA-N
XLogP3.08
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 148511040) is 2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is Nc1ccc2c(n1)CCC2CC(=O)c1cn(Cc2ccc(C3CC4CCCN4C3=O)cc2)nn1.
What is the InChIKey of 2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is MMMZMMMWJCIWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c27-25-10-8-20-18(7-9-22(20)28-25)12-24(33)23-15-31(30-29-23)14-16-3-5-17(6-4-16)21-13-19-2-1-11-32(19)26(21)34/h3-6,8,10,15,18-19,21H,1-2,7,9,11-14H2,(H2,27,28).
What are the key properties of 2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 456.55 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 148511040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).