2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol

C65H81F2N19O2 — CID 161259618

About 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol

2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol (PubChem CID 161259618) has the molecular formula C65H81F2N19O2 and a molecular weight of 1198.49 g/mol. Its IUPAC name is 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol.

Molecular Properties

• Compound Name: 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol
• PubChem CID: 161259618
• Molecular Formula: C65H81F2N19O2
• Molecular Weight: 1198.49 g/mol
• Exact Mass: 1197.68
• IUPAC Name: 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol
• SMILES: CC(C)(C)NC1CCN(c2cnc(-c3ccc(-c4cn[nH]c4)c(F)c3F)cn2)C1.CN(c1cnc(-c2ccc(-n3nccn3)cc2O)cn1)C1CC(C)(C)NC(C)(C)C1.Cn1cc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)cn3)c(O)c2)cn1
• InChI: InChI=1S/C22H29N7O.C22H28N6O.C21H24F2N6/c1-21(2)11-16(12-22(3,4)27-21)28(5)20-14-23-18(13-24-20)17-7-6-15(10-19(17)30)29-25-8-9-26-29;1-22(2,3)26-17-7-8-28(14-17)21-12-23-19(11-24-21)18-6-5-15(9-20(18)29)16-10-25-27(4)13-16;1-21(2,3)28-14-6-7-29(12-14)18-11-24-17(10-25-18)16-5-4-15(19(22)20(16)23)13-8-26-27-9-13/h6-10,13-14,16,27,30H,11-12H2,1-5H3;5-6,9-13,17,26,29H,7-8,14H2,1-4H3;4-5,8-11,14,28H,6-7,12H2,1-3H3,(H,26,27)
• InChIKey: VCJNRTUMODYJJB-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 240.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1198.49
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol?

The IUPAC name of 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol (CID 161259618) is 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol.

What is the SMILES notation for 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol?

The canonical SMILES for 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol is CC(C)(C)NC1CCN(c2cnc(-c3ccc(-c4cn[nH]c4)c(F)c3F)cn2)C1.CN(c1cnc(-c2ccc(-n3nccn3)cc2O)cn1)C1CC(C)(C)NC(C)(C)C1.Cn1cc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)cn3)c(O)c2)cn1.

What is the InChIKey of 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol?

The InChIKey is VCJNRTUMODYJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O.C22H28N6O.C21H24F2N6/c1-21(2)11-16(12-22(3,4)27-21)28(5)20-14-23-18(13-24-20)17-7-6-15(10-19(17)30)29-25-8-9-26-29;1-22(2,3)26-17-7-8-28(14-17)21-12-23-19(11-24-21)18-6-5-15(9-20(18)29)16-10-25-27(4)13-16;1-21(2,3)28-14-6-7-29(12-14)18-11-24-17(10-25-18)16-5-4-15(19(22)20(16)23)13-8-26-27-9-13/h6-10,13-14,16,27,30H,11-12H2,1-5H3;5-6,9-13,17,26,29H,7-8,14H2,1-4H3;4-5,8-11,14,28H,6-7,12H2,1-3H3,(H,26,27).

What are the key properties of 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol?

2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol has a molecular weight of 1198.49 g/mol, XLogP of 10.17, 12 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(1-methylpyrazol-4-yl)phenol;N-tert-butyl-1-[5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]pyrrolidin-3-amine;2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol is sourced from PubChem (CID 161259618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).