4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane

C79H87N21O8 — CID 167698417

IUPAC4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane
SMILESC.CC(C)(O)COc1cc(-c2ccc(N3CC(n4ccc(N)n4)C3)nc2)c2c(C#N)cnn2c1.COc1ccc(CC2(N)CN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)C2)cn1.COc1ccc(CN2CC(N)(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cc3)C2)cn1
InChIInChI=1S/C28H30N6O3.C27H29N7O3.C23H24N8O2.CH4/c1-27(2,35)18-37-23-10-24(26-21(11-29)13-32-34(26)15-23)20-5-7-22(8-6-20)28(30)16-33(17-28)14-19-4-9-25(36-3)31-12-19;1-26(2,35)17-37-21-8-22(25-20(10-28)13-32-34(25)14-21)19-5-6-23(30-12-19)33-15-27(29,16-33)9-18-4-7-24(36-3)31-11-18;1-23(2,32)14-33-18-7-19(22-16(8-24)10-27-31(22)13-18)15-3-4-21(26-9-15)29-11-17(12-29)30-6-5-20(25)28-30;/h4-10,12-13,15,35H,14,16-18,30H2,1-3H3;4-8,11-14,35H,9,15-17,29H2,1-3H3;3-7,9-10,13,17,32H,11-12,14H2,1-2H3,(H2,25,28);1H4
InChIKeyXZURVQNISBOXAY-UHFFFAOYSA-N
MW1458.70 g/mol
LogP8.57
Rot. Bonds22

About 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane

4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane (PubChem CID 167698417) has the molecular formula C79H87N21O8 and a molecular weight of 1458.70 g/mol. Its IUPAC name is 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane.

Molecular Properties

Compound Name4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane
PubChem CID167698417
Molecular FormulaC79H87N21O8
Molecular Weight1458.70 g/mol
Exact Mass1457.70
IUPAC Name4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane
SMILESC.CC(C)(O)COc1cc(-c2ccc(N3CC(n4ccc(N)n4)C3)nc2)c2c(C#N)cnn2c1.COc1ccc(CC2(N)CN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)C2)cn1.COc1ccc(CN2CC(N)(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cc3)C2)cn1
InChIInChI=1S/C28H30N6O3.C27H29N7O3.C23H24N8O2.CH4/c1-27(2,35)18-37-23-10-24(26-21(11-29)13-32-34(26)15-23)20-5-7-22(8-6-20)28(30)16-33(17-28)14-19-4-9-25(36-3)31-12-19;1-26(2,35)17-37-21-8-22(25-20(10-28)13-32-34(25)14-21)19-5-6-23(30-12-19)33-15-27(29,16-33)9-18-4-7-24(36-3)31-11-18;1-23(2,32)14-33-18-7-19(22-16(8-24)10-27-31(22)13-18)15-3-4-21(26-9-15)29-11-17(12-29)30-6-5-20(25)28-30;/h4-10,12-13,15,35H,14,16-18,30H2,1-3H3;4-8,11-14,35H,9,15-17,29H2,1-3H3;3-7,9-10,13,17,32H,11-12,14H2,1-2H3,(H2,25,28);1H4
InChIKeyXZURVQNISBOXAY-UHFFFAOYSA-N
XLogP8.57
TPSA387.27 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001458.70
LogP ≤ 58.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane with MolForge

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Related Compounds

4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine
CID 167641932
6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436646
4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(3-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155296343
4-[6-[(3aS,6aR)-5-[2-(6-methoxy-3-pyridinyl)acetyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 165026917
4-[6-[6-[dideuterio-[6-(trideuteriomethoxy)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146635776
6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-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;hydrobromide
CID 163363190
1-[3-amino-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
CID 166998381
4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1,1,2-trihydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166736470
4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134497146
6-amino-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 155296261
6-(3-hydroxypropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436418
4-[6-[6-[(6-cyano-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134437084

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?
The IUPAC name of 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane (CID 167698417) is 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane.
What is the SMILES notation for 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?
The canonical SMILES for 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane is C.CC(C)(O)COc1cc(-c2ccc(N3CC(n4ccc(N)n4)C3)nc2)c2c(C#N)cnn2c1.COc1ccc(CC2(N)CN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)C2)cn1.COc1ccc(CN2CC(N)(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cc3)C2)cn1.
What is the InChIKey of 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?
The InChIKey is XZURVQNISBOXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3.C27H29N7O3.C23H24N8O2.CH4/c1-27(2,35)18-37-23-10-24(26-21(11-29)13-32-34(26)15-23)20-5-7-22(8-6-20)28(30)16-33(17-28)14-19-4-9-25(36-3)31-12-19;1-26(2,35)17-37-21-8-22(25-20(10-28)13-32-34(25)14-21)19-5-6-23(30-12-19)33-15-27(29,16-33)9-18-4-7-24(36-3)31-11-18;1-23(2,32)14-33-18-7-19(22-16(8-24)10-27-31(22)13-18)15-3-4-21(26-9-15)29-11-17(12-29)30-6-5-20(25)28-30;/h4-10,12-13,15,35H,14,16-18,30H2,1-3H3;4-8,11-14,35H,9,15-17,29H2,1-3H3;3-7,9-10,13,17,32H,11-12,14H2,1-2H3,(H2,25,28);1H4.
What are the key properties of 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?
4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane has a molecular weight of 1458.70 g/mol, XLogP of 8.57, 22 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane is sourced from PubChem (CID 167698417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).