5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine

C26H34F2N6O — CID 123848110

About 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine

5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 123848110) has the molecular formula C26H34F2N6O and a molecular weight of 484.60 g/mol. Its IUPAC name is 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
• PubChem CID: 123848110
• Molecular Formula: C26H34F2N6O
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.28
• IUPAC Name: 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
• SMILES: C=C1C2CN(C3CC4C(C3)C4c3cc(-c4cnc(N)c(OC(F)F)c4)nn3C(C)CC)C1CN2C
• InChI: InChI=1S/C26H34F2N6O/c1-5-13(2)34-20(9-19(31-34)15-6-23(35-26(27)28)25(29)30-10-15)24-17-7-16(8-18(17)24)33-12-21-14(3)22(33)11-32(21)4/h6,9-10,13,16-18,21-22,24,26H,3,5,7-8,11-12H2,1-2,4H3,(H2,29,30)
• InChIKey: DUSABZRFVOMFBT-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 72.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?

The IUPAC name of 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 123848110) is 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.

What is the SMILES notation for 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?

The canonical SMILES for 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is C=C1C2CN(C3CC4C(C3)C4c3cc(-c4cnc(N)c(OC(F)F)c4)nn3C(C)CC)C1CN2C.

What is the InChIKey of 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?

The InChIKey is DUSABZRFVOMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N6O/c1-5-13(2)34-20(9-19(31-34)15-6-23(35-26(27)28)25(29)30-10-15)24-17-7-16(8-18(17)24)33-12-21-14(3)22(33)11-32(21)4/h6,9-10,13,16-18,21-22,24,26H,3,5,7-8,11-12H2,1-2,4H3,(H2,29,30).

What are the key properties of 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?

5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 484.60 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-butan-2-yl-5-[3-(5-methyl-7-methylidene-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123848110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).