2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C121H147F3N24O13S — CID 161167626

IUPAC2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CCC4)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CCCC4)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cn(CC(F)(F)F)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Sc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccn1.Cc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(CC(C)C)n1
InChIInChI=1S/C26H33N5O3.C25H31N5O3.C24H29N5O2S.C23H26F3N5O3.C23H28N4O2/c1-26(2,32)23-15-19(7-11-27-23)29-24-16-21(8-12-28-24)34-22-17-31(20-5-3-4-6-20)30-25(22)18-9-13-33-14-10-18;1-25(2,31)22-14-18(6-10-26-22)28-23-15-20(7-11-27-23)33-21-16-30(19-4-3-5-19)29-24(21)17-8-12-32-13-9-17;1-24(2,30)21-13-17(5-9-25-21)27-22-14-19(6-10-26-22)32-20-15-29(18-3-4-18)28-23(20)16-7-11-31-12-8-16;1-22(2,32)19-11-16(3-7-27-19)29-20-12-17(4-8-28-20)34-18-13-31(14-23(24,25)26)30-21(18)15-5-9-33-10-6-15;1-15(2)12-19-20(7-6-16(3)26-19)29-18-9-11-25-22(14-18)27-17-8-10-24-21(13-17)23(4,5)28/h7-8,11-12,15-18,20,32H,3-6,9-10,13-14H2,1-2H3,(H,27,28,29);6-7,10-11,14-17,19,31H,3-5,8-9,12-13H2,1-2H3,(H,26,27,28);5-6,9-10,13-16,18,30H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27);3-4,7-8,11-13,15,32H,5-6,9-10,14H2,1-2H3,(H,27,28,29);6-11,13-15,28H,12H2,1-5H3,(H,24,25,27)
InChIKeyUQTJFFIXIPHFKQ-UHFFFAOYSA-N
MW2234.72 g/mol
LogP25.56
Rot. Bonds35

About 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 161167626) has the molecular formula C121H147F3N24O13S and a molecular weight of 2234.72 g/mol. Its IUPAC name is 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID161167626
Molecular FormulaC121H147F3N24O13S
Molecular Weight2234.72 g/mol
Exact Mass2233.13
IUPAC Name2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CCC4)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CCCC4)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cn(CC(F)(F)F)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Sc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccn1.Cc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(CC(C)C)n1
InChIInChI=1S/C26H33N5O3.C25H31N5O3.C24H29N5O2S.C23H26F3N5O3.C23H28N4O2/c1-26(2,32)23-15-19(7-11-27-23)29-24-16-21(8-12-28-24)34-22-17-31(20-5-3-4-6-20)30-25(22)18-9-13-33-14-10-18;1-25(2,31)22-14-18(6-10-26-22)28-23-15-20(7-11-27-23)33-21-16-30(19-4-3-5-19)29-24(21)17-8-12-32-13-9-17;1-24(2,30)21-13-17(5-9-25-21)27-22-14-19(6-10-26-22)32-20-15-29(18-3-4-18)28-23(20)16-7-11-31-12-8-16;1-22(2,32)19-11-16(3-7-27-19)29-20-12-17(4-8-28-20)34-18-13-31(14-23(24,25)26)30-21(18)15-5-9-33-10-6-15;1-15(2)12-19-20(7-6-16(3)26-19)29-18-9-11-25-22(14-18)27-17-8-10-24-21(13-17)23(4,5)28/h7-8,11-12,15-18,20,32H,3-6,9-10,13-14H2,1-2H3,(H,27,28,29);6-7,10-11,14-17,19,31H,3-5,8-9,12-13H2,1-2H3,(H,26,27,28);5-6,9-10,13-16,18,30H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27);3-4,7-8,11-13,15,32H,5-6,9-10,14H2,1-2H3,(H,27,28,29);6-11,13-15,28H,12H2,1-5H3,(H,24,25,27)
InChIKeyUQTJFFIXIPHFKQ-UHFFFAOYSA-N
XLogP25.56
TPSA448.21 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds35
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002234.72
LogP ≤ 525.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 161167626) is 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CCC4)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CCCC4)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cn(CC(F)(F)F)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Sc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccn1.Cc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(CC(C)C)n1.
What is the InChIKey of 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is UQTJFFIXIPHFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3.C25H31N5O3.C24H29N5O2S.C23H26F3N5O3.C23H28N4O2/c1-26(2,32)23-15-19(7-11-27-23)29-24-16-21(8-12-28-24)34-22-17-31(20-5-3-4-6-20)30-25(22)18-9-13-33-14-10-18;1-25(2,31)22-14-18(6-10-26-22)28-23-15-20(7-11-27-23)33-21-16-30(19-4-3-5-19)29-24(21)17-8-12-32-13-9-17;1-24(2,30)21-13-17(5-9-25-21)27-22-14-19(6-10-26-22)32-20-15-29(18-3-4-18)28-23(20)16-7-11-31-12-8-16;1-22(2,32)19-11-16(3-7-27-19)29-20-12-17(4-8-28-20)34-18-13-31(14-23(24,25)26)30-21(18)15-5-9-33-10-6-15;1-15(2)12-19-20(7-6-16(3)26-19)29-18-9-11-25-22(14-18)27-17-8-10-24-21(13-17)23(4,5)28/h7-8,11-12,15-18,20,32H,3-6,9-10,13-14H2,1-2H3,(H,27,28,29);6-7,10-11,14-17,19,31H,3-5,8-9,12-13H2,1-2H3,(H,26,27,28);5-6,9-10,13-16,18,30H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27);3-4,7-8,11-13,15,32H,5-6,9-10,14H2,1-2H3,(H,27,28,29);6-11,13-15,28H,12H2,1-5H3,(H,24,25,27).
What are the key properties of 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 2234.72 g/mol, XLogP of 25.56, 35 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 161167626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).