2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C85H86F6N34O12 — CID 159750791

About 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159750791) has the molecular formula C85H86F6N34O12 and a molecular weight of 1889.84 g/mol. Its IUPAC name is 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159750791
• Molecular Formula: C85H86F6N34O12
• Molecular Weight: 1889.84 g/mol
• Exact Mass: 1888.71
• IUPAC Name: 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C=CCOCc1ccn2nc(N)c(C(=O)Nc3cnccc3OC)c2n1.CN(C)CCOc1cc(C(F)(F)F)ncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.COc1ccncc1NC(=O)c1c(N)nn2ccc(CO)nc12.[C-]#[N+]C(C)(C)c1ccn2nc(N)c(C(=O)Nc3cnccc3OC)c2n1.[C-]#[N+]C(C)(C)c1ccn2nc(N)c(C(=O)Nc3cnccc3OC3CNC3)c2n1
• InChI: InChI=1S/C19H20N8O2.C18H17F6N7O2.C17H17N7O2.C17H18N6O3.C14H14N6O3/c1-19(2,21-3)14-5-7-27-17(25-14)15(16(20)26-27)18(28)24-12-10-22-6-4-13(12)29-11-8-23-9-11;1-30(2)5-6-33-10-7-12(18(22,23)24)26-8-9(10)27-16(32)13-14(25)29-31-4-3-11(17(19,20)21)28-15(13)31;1-17(2,19-3)12-6-8-24-15(22-12)13(14(18)23-24)16(25)21-10-9-20-7-5-11(10)26-4;1-3-8-26-10-11-5-7-23-16(20-11)14(15(18)22-23)17(24)21-12-9-19-6-4-13(12)25-2;1-23-10-2-4-16-6-9(10)18-14(22)11-12(15)19-20-5-3-8(7-21)17-13(11)20/h4-7,10-11,23H,8-9H2,1-2H3,(H2,20,26)(H,24,28);3-4,7-8H,5-6H2,1-2H3,(H2,25,29)(H,27,32);5-9H,1-2,4H3,(H2,18,23)(H,21,25);3-7,9H,1,8,10H2,2H3,(H2,18,22)(H,21,24);2-6,21H,7H2,1H3,(H2,15,19)(H,18,22)
• InChIKey: NDPUQKZURUHZNK-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 590.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1889.84
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159750791) is 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=CCOCc1ccn2nc(N)c(C(=O)Nc3cnccc3OC)c2n1.CN(C)CCOc1cc(C(F)(F)F)ncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.COc1ccncc1NC(=O)c1c(N)nn2ccc(CO)nc12.[C-]#[N+]C(C)(C)c1ccn2nc(N)c(C(=O)Nc3cnccc3OC)c2n1.[C-]#[N+]C(C)(C)c1ccn2nc(N)c(C(=O)Nc3cnccc3OC3CNC3)c2n1.

What is the InChIKey of 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NDPUQKZURUHZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2.C18H17F6N7O2.C17H17N7O2.C17H18N6O3.C14H14N6O3/c1-19(2,21-3)14-5-7-27-17(25-14)15(16(20)26-27)18(28)24-12-10-22-6-4-13(12)29-11-8-23-9-11;1-30(2)5-6-33-10-7-12(18(22,23)24)26-8-9(10)27-16(32)13-14(25)29-31-4-3-11(17(19,20)21)28-15(13)31;1-17(2,19-3)12-6-8-24-15(22-12)13(14(18)23-24)16(25)21-10-9-20-7-5-11(10)26-4;1-3-8-26-10-11-5-7-23-16(20-11)14(15(18)22-23)17(24)21-12-9-19-6-4-13(12)25-2;1-23-10-2-4-16-6-9(10)18-14(22)11-12(15)19-20-5-3-8(7-21)17-13(11)20/h4-7,10-11,23H,8-9H2,1-2H3,(H2,20,26)(H,24,28);3-4,7-8H,5-6H2,1-2H3,(H2,25,29)(H,27,32);5-9H,1-2,4H3,(H2,18,23)(H,21,25);3-7,9H,1,8,10H2,2H3,(H2,18,22)(H,21,24);2-6,21H,7H2,1H3,(H2,15,19)(H,18,22).

What are the key properties of 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1889.84 g/mol, XLogP of 8.65, 26 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159750791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).