4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide

C32H37N7O3 — CID 163375739

About 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide

4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide (PubChem CID 163375739) has the molecular formula C32H37N7O3 and a molecular weight of 567.69 g/mol. Its IUPAC name is 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide.

Molecular Properties

• Compound Name: 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
• PubChem CID: 163375739
• Molecular Formula: C32H37N7O3
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.30
• IUPAC Name: 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
• SMILES: CCc1cc(O)ccc1/N=C(\N)c1cnn2cc(-c3cnc(OC)cc3C)cc2c1NC[C@H]1CCCN1C(=O)C1CC1
• InChI: InChI=1S/C32H37N7O3/c1-4-20-13-24(40)9-10-27(20)37-31(33)26-17-36-39-18-22(25-16-34-29(42-3)12-19(25)2)14-28(39)30(26)35-15-23-6-5-11-38(23)32(41)21-7-8-21/h9-10,12-14,16-18,21,23,35,40H,4-8,11,15H2,1-3H3,(H2,33,37)/t23-/m1/s1
• InChIKey: JSVQRVDWDOAQGE-HSZRJFAPSA-N
• XLogP: 4.83
• TPSA: 130.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide?

The IUPAC name of 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide (CID 163375739) is 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide.

What is the SMILES notation for 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide?

The canonical SMILES for 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide is CCc1cc(O)ccc1/N=C(\N)c1cnn2cc(-c3cnc(OC)cc3C)cc2c1NC[C@H]1CCCN1C(=O)C1CC1.

What is the InChIKey of 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide?

The InChIKey is JSVQRVDWDOAQGE-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H37N7O3/c1-4-20-13-24(40)9-10-27(20)37-31(33)26-17-36-39-18-22(25-16-34-29(42-3)12-19(25)2)14-28(39)30(26)35-15-23-6-5-11-38(23)32(41)21-7-8-21/h9-10,12-14,16-18,21,23,35,40H,4-8,11,15H2,1-3H3,(H2,33,37)/t23-/m1/s1.

What are the key properties of 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide?

4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide has a molecular weight of 567.69 g/mol, XLogP of 4.83, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide is sourced from PubChem (CID 163375739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).