N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide

C24H26N8O3 — CID 145264623

About N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide

N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide (PubChem CID 145264623) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide
• PubChem CID: 145264623
• Molecular Formula: C24H26N8O3
• Molecular Weight: 474.53 g/mol
• Exact Mass: 474.21
• IUPAC Name: N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide
• SMILES: C/N=C/C(=CN)C(=O)NCN1C[C@H](C)n2nc(-c3ccc(C#N)cc3NC(=O)C3CC3)cc2C1=O
• InChI: InChI=1S/C24H26N8O3/c1-14-12-31(13-28-22(33)17(10-26)11-27-2)24(35)21-8-20(30-32(14)21)18-6-3-15(9-25)7-19(18)29-23(34)16-4-5-16/h3,6-8,10-11,14,16H,4-5,12-13,26H2,1-2H3,(H,28,33)(H,29,34)/b17-10?,27-11+/t14-/m0/s1
• InChIKey: CKSHMCUDANUXET-SODUJPSISA-N
• XLogP: 1.40
• TPSA: 158.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.53
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide?

The IUPAC name of N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide (CID 145264623) is N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide is C/N=C/C(=CN)C(=O)NCN1C[C@H](C)n2nc(-c3ccc(C#N)cc3NC(=O)C3CC3)cc2C1=O.

What is the InChIKey of N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide?

The InChIKey is CKSHMCUDANUXET-SODUJPSISA-N. The full InChI is InChI=1S/C24H26N8O3/c1-14-12-31(13-28-22(33)17(10-26)11-27-2)24(35)21-8-20(30-32(14)21)18-6-3-15(9-25)7-19(18)29-23(34)16-4-5-16/h3,6-8,10-11,14,16H,4-5,12-13,26H2,1-2H3,(H,28,33)(H,29,34)/b17-10?,27-11+/t14-/m0/s1.

What are the key properties of N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide?

N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide has a molecular weight of 474.53 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide is sourced from PubChem (CID 145264623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).