N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide

C23H27N7O2 — CID 139351058

About N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide

N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide (PubChem CID 139351058) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
• PubChem CID: 139351058
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
• SMILES: C=N/C=N/c1c(C)n(CC2(n3cc(C)c4cccnc43)CCCC2)nc(C(=O)NC)c1=O
• InChI: InChI=1S/C23H27N7O2/c1-15-12-29(21-17(15)8-7-11-26-21)23(9-5-6-10-23)13-30-16(2)18(27-14-24-3)20(31)19(28-30)22(32)25-4/h7-8,11-12,14H,3,5-6,9-10,13H2,1-2,4H3,(H,25,32)/b27-14+
• InChIKey: AICBQPFLDPSPHS-MZJWZYIUSA-N
• XLogP: 2.90
• TPSA: 106.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?

The IUPAC name of N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide (CID 139351058) is N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide.

What is the SMILES notation for N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?

The canonical SMILES for N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide is C=N/C=N/c1c(C)n(CC2(n3cc(C)c4cccnc43)CCCC2)nc(C(=O)NC)c1=O.

What is the InChIKey of N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?

The InChIKey is AICBQPFLDPSPHS-MZJWZYIUSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15-12-29(21-17(15)8-7-11-26-21)23(9-5-6-10-23)13-30-16(2)18(27-14-24-3)20(31)19(28-30)22(32)25-4/h7-8,11-12,14H,3,5-6,9-10,13H2,1-2,4H3,(H,25,32)/b27-14+.

What are the key properties of N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?

N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,6-dimethyl-5-[(methylideneamino)methylideneamino]-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139351058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).