N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide

C25H28N8O2 — CID 129097205

IUPACN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide
SMILESNc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CC4CCCN4C3=O)cc2)nn1
InChIInChI=1S/C25H28N8O2/c26-23-10-7-19-20(27-23)8-9-21(19)28-24(34)22-15-32(30-29-22)13-17-5-3-16(4-6-17)12-31-14-18-2-1-11-33(18)25(31)35/h3-7,10,15,18,21H,1-2,8-9,11-14H2,(H2,26,27)(H,28,34)
InChIKeyTUEXXDBABOJXFB-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.12
Rot. Bonds6

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

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide (PubChem CID 129097205) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-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-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide
PubChem CID129097205
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC NameN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide
SMILESNc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CC4CCCN4C3=O)cc2)nn1
InChIInChI=1S/C25H28N8O2/c26-23-10-7-19-20(27-23)8-9-21(19)28-24(34)22-15-32(30-29-22)13-17-5-3-16(4-6-17)12-31-14-18-2-1-11-33(18)25(31)35/h3-7,10,15,18,21H,1-2,8-9,11-14H2,(H2,26,27)(H,28,34)
InChIKeyTUEXXDBABOJXFB-UHFFFAOYSA-N
XLogP2.12
TPSA122.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-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-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-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-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide (CID 129097205) is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-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-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-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-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide is Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CC4CCCN4C3=O)cc2)nn1.
What is the InChIKey of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide?
The InChIKey is TUEXXDBABOJXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c26-23-10-7-19-20(27-23)8-9-21(19)28-24(34)22-15-32(30-29-22)13-17-5-3-16(4-6-17)12-31-14-18-2-1-11-33(18)25(31)35/h3-7,10,15,18,21H,1-2,8-9,11-14H2,(H2,26,27)(H,28,34).
What are the key properties of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide?
N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-[(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 129097205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).