[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone

C88H87F3N26O5 — CID 159428503

IUPAC[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2c(-c4ncccn4)ccnc2C)C3)nc1.Cc1cnc(-c2ncc(F)cn2)c(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c1.Cc1cnc(NC2CC3CC2N(C(=O)c2ccc(C)nc2-c2ncc(F)cn2)C3)cn1.Cc1cnc(NC2CC3CC2N(C(=O)c2cccnc2-c2ncc(F)cn2)C3)cn1
InChIInChI=1S/C23H23N5O2.2C22H22FN7O.C21H20FN7O/c1-14-4-5-20(27-12-14)30-19-11-16-10-18(19)28(13-16)23(29)21-15(2)24-9-6-17(21)22-25-7-3-8-26-22;1-12-3-16(20(26-6-12)21-27-8-15(23)9-28-21)22(31)30-11-14-4-17(18(30)5-14)29-19-10-24-13(2)7-25-19;1-12-3-4-16(20(28-12)21-26-8-15(23)9-27-21)22(31)30-11-14-5-17(18(30)6-14)29-19-10-24-13(2)7-25-19;1-12-7-25-18(10-24-12)28-16-5-13-6-17(16)29(11-13)21(30)15-3-2-4-23-19(15)20-26-8-14(22)9-27-20/h3-9,12,16,18-19H,10-11,13H2,1-2H3;3,6-10,14,17-18H,4-5,11H2,1-2H3,(H,25,29);3-4,7-10,14,17-18H,5-6,11H2,1-2H3,(H,25,29);2-4,7-10,13,16-17H,5-6,11H2,1H3,(H,25,28)
InChIKeyLQRIOGYLTSYAPC-UHFFFAOYSA-N
MW1645.83 g/mol
LogP11.32
Rot. Bonds16

About [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone

[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone (PubChem CID 159428503) has the molecular formula C88H87F3N26O5 and a molecular weight of 1645.83 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone
PubChem CID159428503
Molecular FormulaC88H87F3N26O5
Molecular Weight1645.83 g/mol
Exact Mass1644.73
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2c(-c4ncccn4)ccnc2C)C3)nc1.Cc1cnc(-c2ncc(F)cn2)c(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c1.Cc1cnc(NC2CC3CC2N(C(=O)c2ccc(C)nc2-c2ncc(F)cn2)C3)cn1.Cc1cnc(NC2CC3CC2N(C(=O)c2cccnc2-c2ncc(F)cn2)C3)cn1
InChIInChI=1S/C23H23N5O2.2C22H22FN7O.C21H20FN7O/c1-14-4-5-20(27-12-14)30-19-11-16-10-18(19)28(13-16)23(29)21-15(2)24-9-6-17(21)22-25-7-3-8-26-22;1-12-3-16(20(26-6-12)21-27-8-15(23)9-28-21)22(31)30-11-14-4-17(18(30)5-14)29-19-10-24-13(2)7-25-19;1-12-3-4-16(20(28-12)21-26-8-15(23)9-27-21)22(31)30-11-14-5-17(18(30)6-14)29-19-10-24-13(2)7-25-19;1-12-7-25-18(10-24-12)28-16-5-13-6-17(16)29(11-13)21(30)15-3-2-4-23-19(15)20-26-8-14(22)9-27-20/h3-9,12,16,18-19H,10-11,13H2,1-2H3;3,6-10,14,17-18H,4-5,11H2,1-2H3,(H,25,29);3-4,7-10,14,17-18H,5-6,11H2,1-2H3,(H,25,29);2-4,7-10,13,16-17H,5-6,11H2,1H3,(H,25,28)
InChIKeyLQRIOGYLTSYAPC-UHFFFAOYSA-N
XLogP11.32
TPSA371.47 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001645.83
LogP ≤ 511.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone (CID 159428503) is [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2c(-c4ncccn4)ccnc2C)C3)nc1.Cc1cnc(-c2ncc(F)cn2)c(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c1.Cc1cnc(NC2CC3CC2N(C(=O)c2ccc(C)nc2-c2ncc(F)cn2)C3)cn1.Cc1cnc(NC2CC3CC2N(C(=O)c2cccnc2-c2ncc(F)cn2)C3)cn1.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone?
The InChIKey is LQRIOGYLTSYAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2.2C22H22FN7O.C21H20FN7O/c1-14-4-5-20(27-12-14)30-19-11-16-10-18(19)28(13-16)23(29)21-15(2)24-9-6-17(21)22-25-7-3-8-26-22;1-12-3-16(20(26-6-12)21-27-8-15(23)9-28-21)22(31)30-11-14-4-17(18(30)5-14)29-19-10-24-13(2)7-25-19;1-12-3-4-16(20(28-12)21-26-8-15(23)9-27-21)22(31)30-11-14-5-17(18(30)6-14)29-19-10-24-13(2)7-25-19;1-12-7-25-18(10-24-12)28-16-5-13-6-17(16)29(11-13)21(30)15-3-2-4-23-19(15)20-26-8-14(22)9-27-20/h3-9,12,16,18-19H,10-11,13H2,1-2H3;3,6-10,14,17-18H,4-5,11H2,1-2H3,(H,25,29);3-4,7-10,14,17-18H,5-6,11H2,1-2H3,(H,25,29);2-4,7-10,13,16-17H,5-6,11H2,1H3,(H,25,28).
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone?
[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone has a molecular weight of 1645.83 g/mol, XLogP of 11.32, 16 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methyl-4-pyrimidin-2-yl-3-pyridinyl)methanone is sourced from PubChem (CID 159428503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).