2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine

C72H60F5N33O7 — CID 160616811

About 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine

2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 160616811) has the molecular formula C72H60F5N33O7 and a molecular weight of 1594.49 g/mol. Its IUPAC name is 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 160616811
• Molecular Formula: C72H60F5N33O7
• Molecular Weight: 1594.49 g/mol
• Exact Mass: 1593.53
• IUPAC Name: 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: N#Cc1ccnc(Oc2nn(C3CC(F)C3)c3ncnc(N)c23)c1.N#Cc1ccnc(Oc2nn(C3CC(O)C3)c3ncnc(N)c23)c1.N#Cc1ccnc(Oc2nn(C3CC3)c3ncnc(N)c23)c1.Nc1ncnc2c1c(Oc1cc(=O)cc[nH]1)nn2C1CC(F)C1.Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2C1CC1
• InChI: InChI=1S/C15H12FN7O.C15H13N7O2.C14H11F3N6O.C14H13FN6O2.C14H11N7O/c16-9-4-10(5-9)23-14-12(13(18)20-7-21-14)15(22-23)24-11-3-8(6-17)1-2-19-11;16-6-8-1-2-18-11(3-8)24-15-12-13(17)19-7-20-14(12)22(21-15)9-4-10(23)5-9;15-14(16,17)7-3-4-19-9(5-7)24-13-10-11(18)20-6-21-12(10)23(22-13)8-1-2-8;15-7-3-8(4-7)21-13-11(12(16)18-6-19-13)14(20-21)23-10-5-9(22)1-2-17-10;15-6-8-3-4-17-10(5-8)22-14-11-12(16)18-7-19-13(11)21(20-14)9-1-2-9/h1-3,7,9-10H,4-5H2,(H2,18,20,21);1-3,7,9-10,23H,4-5H2,(H2,17,19,20);3-6,8H,1-2H2,(H2,18,20,21);1-2,5-8H,3-4H2,(H,17,22)(H2,16,18,19);3-5,7,9H,1-2H2,(H2,16,18,19)
• InChIKey: RGEWAJBLGKFAIU-UHFFFAOYSA-N
• XLogP: 9.62
• TPSA: 570.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1594.49
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine (CID 160616811) is 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine is N#Cc1ccnc(Oc2nn(C3CC(F)C3)c3ncnc(N)c23)c1.N#Cc1ccnc(Oc2nn(C3CC(O)C3)c3ncnc(N)c23)c1.N#Cc1ccnc(Oc2nn(C3CC3)c3ncnc(N)c23)c1.Nc1ncnc2c1c(Oc1cc(=O)cc[nH]1)nn2C1CC(F)C1.Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2C1CC1.

What is the InChIKey of 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is RGEWAJBLGKFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN7O.C15H13N7O2.C14H11F3N6O.C14H13FN6O2.C14H11N7O/c16-9-4-10(5-9)23-14-12(13(18)20-7-21-14)15(22-23)24-11-3-8(6-17)1-2-19-11;16-6-8-1-2-18-11(3-8)24-15-12-13(17)19-7-20-14(12)22(21-15)9-4-10(23)5-9;15-14(16,17)7-3-4-19-9(5-7)24-13-10-11(18)20-6-21-12(10)23(22-13)8-1-2-8;15-7-3-8(4-7)21-13-11(12(16)18-6-19-13)14(20-21)23-10-5-9(22)1-2-17-10;15-6-8-3-4-17-10(5-8)22-14-11-12(16)18-7-19-13(11)21(20-14)9-1-2-9/h1-3,7,9-10H,4-5H2,(H2,18,20,21);1-3,7,9-10,23H,4-5H2,(H2,17,19,20);3-6,8H,1-2H2,(H2,18,20,21);1-2,5-8H,3-4H2,(H,17,22)(H2,16,18,19);3-5,7,9H,1-2H2,(H2,16,18,19).

What are the key properties of 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine?

2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1594.49 g/mol, XLogP of 9.62, 15 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;2-[4-amino-1-(3-fluorocyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxy-1H-pyridin-4-one;2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]oxypyridine-4-carbonitrile;1-cyclopropyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 160616811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).