6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C27H32N6O2 — CID 135308010

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 135308010) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 135308010
• Molecular Formula: C27H32N6O2
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.26
• IUPAC Name: 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC1CC2(C1)CC(C(C)(C)O)C2
• InChI: InChI=1S/C27H32N6O2/c1-16(2)31-22-8-23(24-6-5-20-7-17(13-28)14-30-33(20)24)29-15-21(22)25(34)32-19-11-27(12-19)9-18(10-27)26(3,4)35/h5-8,14-16,18-19,35H,9-12H2,1-4H3,(H,29,31)(H,32,34)
• InChIKey: GYMBIBMOWHZQJF-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 115.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 135308010) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC1CC2(C1)CC(C(C)(C)O)C2.

What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

The InChIKey is GYMBIBMOWHZQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-16(2)31-22-8-23(24-6-5-20-7-17(13-28)14-30-33(20)24)29-15-21(22)25(34)32-19-11-27(12-19)9-18(10-27)26(3,4)35/h5-8,14-16,18-19,35H,9-12H2,1-4H3,(H,29,31)(H,32,34).

What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 135308010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).