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

C26H28N6O2 — CID 129097154

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

N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 129097154) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-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-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
• PubChem CID: 129097154
• Molecular Formula: C26H28N6O2
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.23
• IUPAC Name: N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
• SMILES: Cc1cc(N)nc2c1C(NC(=O)c1cnn(Cc3ccc(CN4CC5CC5C4=O)cc3)c1)CC2
• InChI: InChI=1S/C26H28N6O2/c1-15-8-23(27)29-21-6-7-22(24(15)21)30-25(33)19-10-28-32(14-19)12-17-4-2-16(3-5-17)11-31-13-18-9-20(18)26(31)34/h2-5,8,10,14,18,20,22H,6-7,9,11-13H2,1H3,(H2,27,29)(H,30,33)
• InChIKey: PSIVYWKXYNWBFK-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-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-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-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 129097154) is N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-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-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-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-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is Cc1cc(N)nc2c1C(NC(=O)c1cnn(Cc3ccc(CN4CC5CC5C4=O)cc3)c1)CC2.

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

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

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

N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-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-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129097154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).