N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide

C26H30N8O2 — CID 129097190

IUPACN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide
SMILESNc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CCN4CCCC4C3=O)cc2)nn1
InChIInChI=1S/C26H30N8O2/c27-24-10-7-19-20(28-24)8-9-21(19)29-25(35)22-16-34(31-30-22)15-18-5-3-17(4-6-18)14-33-13-12-32-11-1-2-23(32)26(33)36/h3-7,10,16,21,23H,1-2,8-9,11-15H2,(H2,27,28)(H,29,35)
InChIKeyOVBBYGMISGSYCZ-UHFFFAOYSA-N
MW486.58 g/mol
LogP1.53
Rot. Bonds6

About N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide (PubChem CID 129097190) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide
PubChem CID129097190
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC NameN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide
SMILESNc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CCN4CCCC4C3=O)cc2)nn1
InChIInChI=1S/C26H30N8O2/c27-24-10-7-19-20(28-24)8-9-21(19)29-25(35)22-16-34(31-30-22)15-18-5-3-17(4-6-18)14-33-13-12-32-11-1-2-23(32)26(33)36/h3-7,10,16,21,23H,1-2,8-9,11-15H2,(H2,27,28)(H,29,35)
InChIKeyOVBBYGMISGSYCZ-UHFFFAOYSA-N
XLogP1.53
TPSA122.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide (CID 129097190) is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide is Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CCN4CCCC4C3=O)cc2)nn1.
What is the InChIKey of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide?
The InChIKey is OVBBYGMISGSYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c27-24-10-7-19-20(28-24)8-9-21(19)29-25(35)22-16-34(31-30-22)15-18-5-3-17(4-6-18)14-33-13-12-32-11-1-2-23(32)26(33)36/h3-7,10,16,21,23H,1-2,8-9,11-15H2,(H2,27,28)(H,29,35).
What are the key properties of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide?
N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 129097190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).