2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane

C80H83F3N24O2 — CID 164988775

IUPAC2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCOc1ccc(OC2CCN(c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)CC2)cn1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(C#N)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(C(F)(F)F)nc3)nc2)n1
InChIInChI=1S/C27H27F3N8.C27H27N9.C26H29N7O2/c1-16-7-20(9-21-8-17(2)35-36-21)34-26(33-16)19-4-6-25(32-12-19)37-14-22-10-23(15-37)38(22)13-18-3-5-24(31-11-18)27(28,29)30;1-17-7-22(9-23-8-18(2)33-34-23)32-27(31-17)20-4-6-26(30-13-20)35-15-24-10-25(16-35)36(24)14-19-3-5-21(11-28)29-12-19;1-17-12-20(14-21-13-18(2)31-32-21)30-26(29-17)19-4-6-24(27-15-19)33-10-8-22(9-11-33)35-23-5-7-25(34-3)28-16-23/h3-8,11-12,22-23H,9-10,13-15H2,1-2H3,(H,35,36);3-8,12-13,24-25H,9-10,14-16H2,1-2H3,(H,33,34);4-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H,31,32)
InChIKeyGNXUCBPLMSRKDE-UHFFFAOYSA-N
MW1469.70 g/mol
LogP11.47
Rot. Bonds19

About 2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane

2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 164988775) has the molecular formula C80H83F3N24O2 and a molecular weight of 1469.70 g/mol. Its IUPAC name is 2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
PubChem CID164988775
Molecular FormulaC80H83F3N24O2
Molecular Weight1469.70 g/mol
Exact Mass1468.71
IUPAC Name2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCOc1ccc(OC2CCN(c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)CC2)cn1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(C#N)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(C(F)(F)F)nc3)nc2)n1
InChIInChI=1S/C27H27F3N8.C27H27N9.C26H29N7O2/c1-16-7-20(9-21-8-17(2)35-36-21)34-26(33-16)19-4-6-25(32-12-19)37-14-22-10-23(15-37)38(22)13-18-3-5-24(31-11-18)27(28,29)30;1-17-7-22(9-23-8-18(2)33-34-23)32-27(31-17)20-4-6-26(30-13-20)35-15-24-10-25(16-35)36(24)14-19-3-5-21(11-28)29-12-19;1-17-12-20(14-21-13-18(2)31-32-21)30-26(29-17)19-4-6-24(27-15-19)33-10-8-22(9-11-33)35-23-5-7-25(34-3)28-16-23/h3-8,11-12,22-23H,9-10,13-15H2,1-2H3,(H,35,36);3-8,12-13,24-25H,9-10,14-16H2,1-2H3,(H,33,34);4-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H,31,32)
InChIKeyGNXUCBPLMSRKDE-UHFFFAOYSA-N
XLogP11.47
TPSA299.17 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.70
LogP ≤ 511.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane with MolForge

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Related Compounds

US10112942, Example 451
CID 134436539
US10112942, Example 452
CID 134436571
US10112942, Example 455
CID 134436997
6-[(4-Aminooxan-4-yl)methoxy]-4-[6-[6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155301246
4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-[8-(trifluoromethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156148323
6-[2-(4,4-Difluoropiperidin-1-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156148325
4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-[4-(trifluoromethyl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156148447
4-[6-[6-[(2-Methoxy-4-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-[2-(trifluoromethyl)-2,7-diazaspiro[4.4]nonan-7-yl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156148460
6-[3-(3,6-Diazabicyclo[3.1.1]heptan-6-yl)propoxy]-4-[6-[6-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156222912
6-[2-(5,5-Difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156226485
4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[3-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156226489
8-methoxy-6-[5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4-(trifluoromethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321462

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane (CID 164988775) is 2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane is COc1ccc(OC2CCN(c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)CC2)cn1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(C#N)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(C(F)(F)F)nc3)nc2)n1.
What is the InChIKey of 2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is GNXUCBPLMSRKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N8.C27H27N9.C26H29N7O2/c1-16-7-20(9-21-8-17(2)35-36-21)34-26(33-16)19-4-6-25(32-12-19)37-14-22-10-23(15-37)38(22)13-18-3-5-24(31-11-18)27(28,29)30;1-17-7-22(9-23-8-18(2)33-34-23)32-27(31-17)20-4-6-26(30-13-20)35-15-24-10-25(16-35)36(24)14-19-3-5-21(11-28)29-12-19;1-17-12-20(14-21-13-18(2)31-32-21)30-26(29-17)19-4-6-24(27-15-19)33-10-8-22(9-11-33)35-23-5-7-25(34-3)28-16-23/h3-8,11-12,22-23H,9-10,13-15H2,1-2H3,(H,35,36);3-8,12-13,24-25H,9-10,14-16H2,1-2H3,(H,33,34);4-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H,31,32).
What are the key properties of 2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane?
2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 1469.70 g/mol, XLogP of 11.47, 19 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-2-carbonitrile;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 164988775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).