(methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate

C33H40N8O2 — CID 146437263

About (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate

(methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate (PubChem CID 146437263) has the molecular formula C33H40N8O2 and a molecular weight of 580.74 g/mol. Its IUPAC name is (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate.

Molecular Properties

• Compound Name: (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate
• PubChem CID: 146437263
• Molecular Formula: C33H40N8O2
• Molecular Weight: 580.74 g/mol
• Exact Mass: 580.33
• IUPAC Name: (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate
• SMILES: C=NO/C(=N\CC(=O)NC1CCCCc2cc(-c3ccnc4nc(-c5c(C)nn(C(C)C)c5C)[nH]c34)ccc21)C1(C)CC1
• InChI: InChI=1S/C33H40N8O2/c1-19(2)41-21(4)28(20(3)40-41)30-38-29-25(13-16-35-31(29)39-30)23-11-12-24-22(17-23)9-7-8-10-26(24)37-27(42)18-36-32(43-34-6)33(5)14-15-33/h11-13,16-17,19,26H,6-10,14-15,18H2,1-5H3,(H,37,42)(H,35,38,39)/b36-32-
• InChIKey: JEYPDRZKSKCXGT-HIELXXDYSA-N
• XLogP: 6.40
• TPSA: 122.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.74
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate?

The IUPAC name of (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate (CID 146437263) is (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate.

What is the SMILES notation for (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate?

The canonical SMILES for (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate is C=NO/C(=N\CC(=O)NC1CCCCc2cc(-c3ccnc4nc(-c5c(C)nn(C(C)C)c5C)[nH]c34)ccc21)C1(C)CC1.

What is the InChIKey of (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate?

The InChIKey is JEYPDRZKSKCXGT-HIELXXDYSA-N. The full InChI is InChI=1S/C33H40N8O2/c1-19(2)41-21(4)28(20(3)40-41)30-38-29-25(13-16-35-31(29)39-30)23-11-12-24-22(17-23)9-7-8-10-26(24)37-27(42)18-36-32(43-34-6)33(5)14-15-33/h11-13,16-17,19,26H,6-10,14-15,18H2,1-5H3,(H,37,42)(H,35,38,39)/b36-32-.

What are the key properties of (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate?

(methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate has a molecular weight of 580.74 g/mol, XLogP of 6.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (methylideneamino) N-[2-[[2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-2-oxoethyl]-1-methylcyclopropane-1-carboximidate is sourced from PubChem (CID 146437263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).