N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen

C37H48N8O4 — CID 177014214

About N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen

N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen (PubChem CID 177014214) has the molecular formula C37H48N8O4 and a molecular weight of 668.84 g/mol. Its IUPAC name is N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen
• PubChem CID: 177014214
• Molecular Formula: C37H48N8O4
• Molecular Weight: 668.84 g/mol
• Exact Mass: 668.38
• IUPAC Name: N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen
• SMILES: C=C(C(=O)NCc1ccccc1)C(C)N(C)C1COC1.CCN1C(=O)[C@@H](NC(=O)c2ccn(C3CC3)n2)Cc2cnn(-c3ccccc3)c21.[H][H].[H][H]
• InChI: InChI=1S/C21H22N6O2.C16H22N2O2.2H2/c1-2-25-20-14(13-22-27(20)16-6-4-3-5-7-16)12-18(21(25)29)23-19(28)17-10-11-26(24-17)15-8-9-15;1-12(13(2)18(3)15-10-20-11-15)16(19)17-9-14-7-5-4-6-8-14;;/h3-7,10-11,13,15,18H,2,8-9,12H2,1H3,(H,23,28);4-8,13,15H,1,9-11H2,2-3H3,(H,17,19);2*1H/t18-;;;/m0.../s1
• InChIKey: YLUGNAWCCJBJCZ-LPECGTQYSA-N
• XLogP: 4.18
• TPSA: 126.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	668.84
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen?

The IUPAC name of N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen (CID 177014214) is N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen is C=C(C(=O)NCc1ccccc1)C(C)N(C)C1COC1.CCN1C(=O)[C@@H](NC(=O)c2ccn(C3CC3)n2)Cc2cnn(-c3ccccc3)c21.[H][H].[H][H].

What is the InChIKey of N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen?

The InChIKey is YLUGNAWCCJBJCZ-LPECGTQYSA-N. The full InChI is InChI=1S/C21H22N6O2.C16H22N2O2.2H2/c1-2-25-20-14(13-22-27(20)16-6-4-3-5-7-16)12-18(21(25)29)23-19(28)17-10-11-26(24-17)15-8-9-15;1-12(13(2)18(3)15-10-20-11-15)16(19)17-9-14-7-5-4-6-8-14;;/h3-7,10-11,13,15,18H,2,8-9,12H2,1H3,(H,23,28);4-8,13,15H,1,9-11H2,2-3H3,(H,17,19);2*1H/t18-;;;/m0.../s1.

What are the key properties of N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen?

N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen has a molecular weight of 668.84 g/mol, XLogP of 4.18, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 177014214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).