6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile

C24H25F2N5O — CID 156724187

About 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile

6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile (PubChem CID 156724187) has the molecular formula C24H25F2N5O and a molecular weight of 437.49 g/mol. Its IUPAC name is 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
• PubChem CID: 156724187
• Molecular Formula: C24H25F2N5O
• Molecular Weight: 437.49 g/mol
• Exact Mass: 437.20
• IUPAC Name: 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
• SMILES: C[C@@H]1CC2CN(C(=O)CNC3(c4c(F)cccc4F)CC3)CC1N2c1ccc(C#N)cn1
• InChI: InChI=1S/C24H25F2N5O/c1-15-9-17-13-30(14-20(15)31(17)21-6-5-16(10-27)11-28-21)22(32)12-29-24(7-8-24)23-18(25)3-2-4-19(23)26/h2-6,11,15,17,20,29H,7-9,12-14H2,1H3/t15-,17?,20?/m1/s1
• InChIKey: QOWWFULVTMWVRY-XRTORIHISA-N
• XLogP: 2.94
• TPSA: 72.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.49
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?

The IUPAC name of 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile (CID 156724187) is 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile is C[C@@H]1CC2CN(C(=O)CNC3(c4c(F)cccc4F)CC3)CC1N2c1ccc(C#N)cn1.

What is the InChIKey of 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?

The InChIKey is QOWWFULVTMWVRY-XRTORIHISA-N. The full InChI is InChI=1S/C24H25F2N5O/c1-15-9-17-13-30(14-20(15)31(17)21-6-5-16(10-27)11-28-21)22(32)12-29-24(7-8-24)23-18(25)3-2-4-19(23)26/h2-6,11,15,17,20,29H,7-9,12-14H2,1H3/t15-,17?,20?/m1/s1.

What are the key properties of 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?

6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile has a molecular weight of 437.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6R)-3-[2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 156724187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).