[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone

C97H102F2N22O4 — CID 161323281

IUPAC[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(NC2CC3CCC2N(C(=O)c2cccnc2-c2ncc(F)cn2)C3)nc1.Cc1ccc(NC2CC3CCC2N(C(=O)c2nc(C)ccc2-c2ccccn2)C3)nc1.Cc1ccc(NC2CC3CCC2N(C(=O)c2ncc(C)cc2-c2ncccc2C)C3)nc1.Cc1ccc(NC2CC3CCC2N(C(=O)c2ncccc2-c2ncc(F)cn2)C3)nc1
InChIInChI=1S/C26H29N5O.C25H27N5O.2C23H23FN6O/c1-16-6-9-23(28-13-16)30-21-12-19-7-8-22(21)31(15-19)26(32)25-20(11-17(2)14-29-25)24-18(3)5-4-10-27-24;1-16-6-11-23(27-14-16)29-21-13-18-8-10-22(21)30(15-18)25(31)24-19(9-7-17(2)28-24)20-5-3-4-12-26-20;1-14-4-7-20(26-10-14)29-18-9-15-5-6-19(18)30(13-15)23(31)17-3-2-8-25-21(17)22-27-11-16(24)12-28-22;1-14-4-7-20(26-10-14)29-18-9-15-5-6-19(18)30(13-15)23(31)21-17(3-2-8-25-21)22-27-11-16(24)12-28-22/h4-6,9-11,13-14,19,21-22H,7-8,12,15H2,1-3H3,(H,28,30);3-7,9,11-12,14,18,21-22H,8,10,13,15H2,1-2H3,(H,27,29);2*2-4,7-8,10-12,15,18-19H,5-6,9,13H2,1H3,(H,26,29)
InChIKeyVKKWVGCYNVAYPA-UHFFFAOYSA-N
MW1678.03 g/mol
LogP15.80
Rot. Bonds16

About [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone

[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone (PubChem CID 161323281) has the molecular formula C97H102F2N22O4 and a molecular weight of 1678.03 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone
PubChem CID161323281
Molecular FormulaC97H102F2N22O4
Molecular Weight1678.03 g/mol
Exact Mass1676.84
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(NC2CC3CCC2N(C(=O)c2cccnc2-c2ncc(F)cn2)C3)nc1.Cc1ccc(NC2CC3CCC2N(C(=O)c2nc(C)ccc2-c2ccccn2)C3)nc1.Cc1ccc(NC2CC3CCC2N(C(=O)c2ncc(C)cc2-c2ncccc2C)C3)nc1.Cc1ccc(NC2CC3CCC2N(C(=O)c2ncccc2-c2ncc(F)cn2)C3)nc1
InChIInChI=1S/C26H29N5O.C25H27N5O.2C23H23FN6O/c1-16-6-9-23(28-13-16)30-21-12-19-7-8-22(21)31(15-19)26(32)25-20(11-17(2)14-29-25)24-18(3)5-4-10-27-24;1-16-6-11-23(27-14-16)29-21-13-18-8-10-22(21)30(15-18)25(31)24-19(9-7-17(2)28-24)20-5-3-4-12-26-20;1-14-4-7-20(26-10-14)29-18-9-15-5-6-19(18)30(13-15)23(31)17-3-2-8-25-21(17)22-27-11-16(24)12-28-22;1-14-4-7-20(26-10-14)29-18-9-15-5-6-19(18)30(13-15)23(31)21-17(3-2-8-25-21)22-27-11-16(24)12-28-22/h4-6,9-11,13-14,19,21-22H,7-8,12,15H2,1-3H3,(H,28,30);3-7,9,11-12,14,18,21-22H,8,10,13,15H2,1-2H3,(H,27,29);2*2-4,7-8,10-12,15,18-19H,5-6,9,13H2,1H3,(H,26,29)
InChIKeyVKKWVGCYNVAYPA-UHFFFAOYSA-N
XLogP15.80
TPSA309.82 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms125
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001678.03
LogP ≤ 515.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone (CID 161323281) is [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone is Cc1ccc(NC2CC3CCC2N(C(=O)c2cccnc2-c2ncc(F)cn2)C3)nc1.Cc1ccc(NC2CC3CCC2N(C(=O)c2nc(C)ccc2-c2ccccn2)C3)nc1.Cc1ccc(NC2CC3CCC2N(C(=O)c2ncc(C)cc2-c2ncccc2C)C3)nc1.Cc1ccc(NC2CC3CCC2N(C(=O)c2ncccc2-c2ncc(F)cn2)C3)nc1.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?
The InChIKey is VKKWVGCYNVAYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O.C25H27N5O.2C23H23FN6O/c1-16-6-9-23(28-13-16)30-21-12-19-7-8-22(21)31(15-19)26(32)25-20(11-17(2)14-29-25)24-18(3)5-4-10-27-24;1-16-6-11-23(27-14-16)29-21-13-18-8-10-22(21)30(15-18)25(31)24-19(9-7-17(2)28-24)20-5-3-4-12-26-20;1-14-4-7-20(26-10-14)29-18-9-15-5-6-19(18)30(13-15)23(31)17-3-2-8-25-21(17)22-27-11-16(24)12-28-22;1-14-4-7-20(26-10-14)29-18-9-15-5-6-19(18)30(13-15)23(31)21-17(3-2-8-25-21)22-27-11-16(24)12-28-22/h4-6,9-11,13-14,19,21-22H,7-8,12,15H2,1-3H3,(H,28,30);3-7,9,11-12,14,18,21-22H,8,10,13,15H2,1-2H3,(H,27,29);2*2-4,7-8,10-12,15,18-19H,5-6,9,13H2,1H3,(H,26,29).
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?
[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone has a molecular weight of 1678.03 g/mol, XLogP of 15.80, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 161323281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).