N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C26H28N6O2 — CID 129097157

About N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 129097157) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
• PubChem CID: 129097157
• Molecular Formula: C26H28N6O2
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.23
• IUPAC Name: N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
• SMILES: Cc1nn(Cc2ccc(CN3CC4CC4C3=O)cc2)cc1C(=O)NC1CCc2nc(N)ccc21
• InChI: InChI=1S/C26H28N6O2/c1-15-21(25(33)29-23-8-7-22-19(23)6-9-24(27)28-22)14-32(30-15)12-17-4-2-16(3-5-17)11-31-13-18-10-20(18)26(31)34/h2-6,9,14,18,20,23H,7-8,10-13H2,1H3,(H2,27,28)(H,29,33)
• InChIKey: GBYWXQRNIGCVSC-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 106.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?

The IUPAC name of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 129097157) is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?

The canonical SMILES for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccc(CN3CC4CC4C3=O)cc2)cc1C(=O)NC1CCc2nc(N)ccc21.

What is the InChIKey of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?

The InChIKey is GBYWXQRNIGCVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-15-21(25(33)29-23-8-7-22-19(23)6-9-24(27)28-22)14-32(30-15)12-17-4-2-16(3-5-17)11-31-13-18-10-20(18)26(31)34/h2-6,9,14,18,20,23H,7-8,10-13H2,1H3,(H2,27,28)(H,29,33).

What are the key properties of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-3-methyl-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129097157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).