5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide

C28H27N7O2 — CID 163385401

About 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide

5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide (PubChem CID 163385401) has the molecular formula C28H27N7O2 and a molecular weight of 496.59 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide
• PubChem CID: 163385401
• Molecular Formula: C28H27N7O2
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.24
• IUPAC Name: 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide
• SMILES: [2H]C([2H])([2H])n1cc2cc(-n3nc4c(C(=O)NC)cn(CC5CC5)c4c(-c4ccc(C5CC5)nc4)c3=O)ccc2n1
• InChI: InChI=1S/C28H27N7O2/c1-29-27(36)21-15-34(13-16-3-4-16)26-24(18-7-9-22(30-12-18)17-5-6-17)28(37)35(32-25(21)26)20-8-10-23-19(11-20)14-33(2)31-23/h7-12,14-17H,3-6,13H2,1-2H3,(H,29,36)/i2D3
• InChIKey: TWTBVROELDFQBR-BMSJAHLVSA-N
• XLogP: 3.78
• TPSA: 99.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide?

The IUPAC name of 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide (CID 163385401) is 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide.

What is the SMILES notation for 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide?

The canonical SMILES for 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide is [2H]C([2H])([2H])n1cc2cc(-n3nc4c(C(=O)NC)cn(CC5CC5)c4c(-c4ccc(C5CC5)nc4)c3=O)ccc2n1.

What is the InChIKey of 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide?

The InChIKey is TWTBVROELDFQBR-BMSJAHLVSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-29-27(36)21-15-34(13-16-3-4-16)26-24(18-7-9-22(30-12-18)17-5-6-17)28(37)35(32-25(21)26)20-8-10-23-19(11-20)14-33(2)31-23/h7-12,14-17H,3-6,13H2,1-2H3,(H,29,36)/i2D3.

What are the key properties of 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide?

5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-N-methyl-3-oxo-2-[2-(trideuteriomethyl)indazol-5-yl]pyrrolo[3,2-c]pyridazine-7-carboxamide is sourced from PubChem (CID 163385401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).