3-(difluoromethoxy)-5-[5-[3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C24H32F2N6O — CID 123142338

About 3-(difluoromethoxy)-5-[5-[3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

3-(difluoromethoxy)-5-[5-[3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 123142338) has the molecular formula C24H32F2N6O and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[5-[3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-(difluoromethoxy)-5-[5-[3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
• PubChem CID: 123142338
• Molecular Formula: C24H32F2N6O
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.26
• IUPAC Name: 3-(difluoromethoxy)-5-[5-[3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
• SMILES: CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(N3CC4CC3CN4C)CC21
• InChI: InChI=1S/C24H32F2N6O/c1-12(2)32-20(8-19(29-32)13-4-21(33-24(25)26)23(27)28-9-13)22-17-6-14(7-18(17)22)31-11-15-5-16(31)10-30(15)3/h4,8-9,12,14-18,22,24H,5-7,10-11H2,1-3H3,(H2,27,28)
• InChIKey: JBCGSVLOAIFCFT-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 72.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(difluoromethoxy)-5-[5-[3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 123142338) is 3-(difluoromethoxy)-5-[5-[3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

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

The canonical SMILES for 3-(difluoromethoxy)-5-[5-[3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(N3CC4CC3CN4C)CC21.

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

The InChIKey is JBCGSVLOAIFCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N6O/c1-12(2)32-20(8-19(29-32)13-4-21(33-24(25)26)23(27)28-9-13)22-17-6-14(7-18(17)22)31-11-15-5-16(31)10-30(15)3/h4,8-9,12,14-18,22,24H,5-7,10-11H2,1-3H3,(H2,27,28).

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

3-(difluoromethoxy)-5-[5-[3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 458.56 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethoxy)-5-[5-[3-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 123142338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).