2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide

C22H28F2N6O2 — CID 164859399

About 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide

2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide (PubChem CID 164859399) has the molecular formula C22H28F2N6O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
• PubChem CID: 164859399
• Molecular Formula: C22H28F2N6O2
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.22
• IUPAC Name: 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
• SMILES: CC(C)C1(NC(=O)N2CC3(CCn4nc(-c5cnc(N)c(OC(F)F)c5)cc43)C2)CCC1
• InChI: InChI=1S/C22H28F2N6O2/c1-13(2)22(4-3-5-22)27-20(31)29-11-21(12-29)6-7-30-17(21)9-15(28-30)14-8-16(32-19(23)24)18(25)26-10-14/h8-10,13,19H,3-7,11-12H2,1-2H3,(H2,25,26)(H,27,31)
• InChIKey: ZRYISVNHMQGIPC-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 98.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?

The IUPAC name of 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide (CID 164859399) is 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide.

What is the SMILES notation for 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?

The canonical SMILES for 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide is CC(C)C1(NC(=O)N2CC3(CCn4nc(-c5cnc(N)c(OC(F)F)c5)cc43)C2)CCC1.

What is the InChIKey of 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?

The InChIKey is ZRYISVNHMQGIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N6O2/c1-13(2)22(4-3-5-22)27-20(31)29-11-21(12-29)6-7-30-17(21)9-15(28-30)14-8-16(32-19(23)24)18(25)26-10-14/h8-10,13,19H,3-7,11-12H2,1-2H3,(H2,25,26)(H,27,31).

What are the key properties of 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?

2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide is sourced from PubChem (CID 164859399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).