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

C92H89F3N20O9 — CID 160636126

IUPAC[6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2ccc(C)nc2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-c2ncc(F)cn2)C3)nc1.Cc1cnc(C(=O)N2CC3CC(Oc4cc(CF)ccn4)C2C3)c(-c2ncccn2)c1.Cc1cnc(C(=O)N2CC3CC(Oc4cc(CO)ccn4)C2C3)c(-c2ncccn2)c1
InChIInChI=1S/3C23H22FN5O2.C23H23N5O3/c1-13-3-6-20(25-9-13)31-19-8-15-7-18(19)29(12-15)23(30)17-5-4-14(2)28-21(17)22-26-10-16(24)11-27-22;1-13-3-4-20(25-8-13)31-19-7-15-6-18(19)29(12-15)23(30)21-17(5-14(2)9-26-21)22-27-10-16(24)11-28-22;1-14-7-17(22-26-4-2-5-27-22)21(28-12-14)23(30)29-13-16-8-18(29)19(9-16)31-20-10-15(11-24)3-6-25-20;1-14-7-17(22-25-4-2-5-26-22)21(27-11-14)23(30)28-12-16-8-18(28)19(9-16)31-20-10-15(13-29)3-6-24-20/h3-6,9-11,15,18-19H,7-8,12H2,1-2H3;3-5,8-11,15,18-19H,6-7,12H2,1-2H3;2-7,10,12,16,18-19H,8-9,11,13H2,1H3;2-7,10-11,16,18-19,29H,8-9,12-13H2,1H3
InChIKeyRIOCPDWEDZGOFF-UHFFFAOYSA-N
MW1675.85 g/mol
LogP12.55
Rot. Bonds18

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

[6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 160636126) has the molecular formula C92H89F3N20O9 and a molecular weight of 1675.85 g/mol. Its IUPAC name is [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
PubChem CID160636126
Molecular FormulaC92H89F3N20O9
Molecular Weight1675.85 g/mol
Exact Mass1674.71
IUPAC Name[6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2ccc(C)nc2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-c2ncc(F)cn2)C3)nc1.Cc1cnc(C(=O)N2CC3CC(Oc4cc(CF)ccn4)C2C3)c(-c2ncccn2)c1.Cc1cnc(C(=O)N2CC3CC(Oc4cc(CO)ccn4)C2C3)c(-c2ncccn2)c1
InChIInChI=1S/3C23H22FN5O2.C23H23N5O3/c1-13-3-6-20(25-9-13)31-19-8-15-7-18(19)29(12-15)23(30)17-5-4-14(2)28-21(17)22-26-10-16(24)11-27-22;1-13-3-4-20(25-8-13)31-19-7-15-6-18(19)29(12-15)23(30)21-17(5-14(2)9-26-21)22-27-10-16(24)11-28-22;1-14-7-17(22-26-4-2-5-27-22)21(28-12-14)23(30)29-13-16-8-18(29)19(9-16)31-20-10-15(11-24)3-6-25-20;1-14-7-17(22-25-4-2-5-26-22)21(27-11-14)23(30)28-12-16-8-18(28)19(9-16)31-20-10-15(13-29)3-6-24-20/h3-6,9-11,15,18-19H,7-8,12H2,1-2H3;3-5,8-11,15,18-19H,6-7,12H2,1-2H3;2-7,10,12,16,18-19H,8-9,11,13H2,1H3;2-7,10-11,16,18-19,29H,8-9,12-13H2,1H3
InChIKeyRIOCPDWEDZGOFF-UHFFFAOYSA-N
XLogP12.55
TPSA344.63 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001675.85
LogP ≤ 512.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

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

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Frequently Asked Questions

What is the IUPAC name of [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The IUPAC name of [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 160636126) is [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The canonical SMILES for [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2ccc(C)nc2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-c2ncc(F)cn2)C3)nc1.Cc1cnc(C(=O)N2CC3CC(Oc4cc(CF)ccn4)C2C3)c(-c2ncccn2)c1.Cc1cnc(C(=O)N2CC3CC(Oc4cc(CO)ccn4)C2C3)c(-c2ncccn2)c1.
What is the InChIKey of [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The InChIKey is RIOCPDWEDZGOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H22FN5O2.C23H23N5O3/c1-13-3-6-20(25-9-13)31-19-8-15-7-18(19)29(12-15)23(30)17-5-4-14(2)28-21(17)22-26-10-16(24)11-27-22;1-13-3-4-20(25-8-13)31-19-7-15-6-18(19)29(12-15)23(30)21-17(5-14(2)9-26-21)22-27-10-16(24)11-28-22;1-14-7-17(22-26-4-2-5-27-22)21(28-12-14)23(30)29-13-16-8-18(29)19(9-16)31-20-10-15(11-24)3-6-25-20;1-14-7-17(22-25-4-2-5-26-22)21(27-11-14)23(30)28-12-16-8-18(28)19(9-16)31-20-10-15(13-29)3-6-24-20/h3-6,9-11,15,18-19H,7-8,12H2,1-2H3;3-5,8-11,15,18-19H,6-7,12H2,1-2H3;2-7,10,12,16,18-19H,8-9,11,13H2,1H3;2-7,10-11,16,18-19,29H,8-9,12-13H2,1H3.
What are the key properties of [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
[6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 1675.85 g/mol, XLogP of 12.55, 18 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 160636126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).