2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C87H100F2N42O12 — CID 159516511

About 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159516511) has the molecular formula C87H100F2N42O12 and a molecular weight of 1964.03 g/mol. Its IUPAC name is 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159516511
• Molecular Formula: C87H100F2N42O12
• Molecular Weight: 1964.03 g/mol
• Exact Mass: 1962.85
• IUPAC Name: 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)Oc1ncncc1NC(=O)c1c(N)nn2ccc(OCCN(C)C)nc12.CN1CCN(C(=O)C2CCN(c3ncncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1.COc1ncncc1NC(=O)c1c(N)nn2ccc(OCCN(C)C)nc12.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CC2(CCN2)C1.[C-]#[N+]Cc1cnc2c(C(=O)Nc3cncnc3OC)c(N)nn2c1
• InChI: InChI=1S/C22H27FN10O2.C18H24N8O3.C17H17FN8O2.C16H20N8O3.C14H12N8O2/c1-30-6-8-32(9-7-30)22(35)14-2-4-31(5-3-14)19-16(11-25-13-27-19)28-21(34)17-18(24)29-33-12-15(23)10-26-20(17)33;1-11(2)29-18-12(9-20-10-21-18)22-17(27)14-15(19)24-26-6-5-13(23-16(14)26)28-8-7-25(3)4;18-9-5-21-14-12(13(19)25-26(14)7-9)15(27)24-11-6-20-8-22-16(11)28-10-3-17(4-10)1-2-23-17;1-23(2)6-7-27-11-4-5-24-14(21-11)12(13(17)22-24)15(25)20-10-8-18-9-19-16(10)26-3;1-16-3-8-4-18-12-10(11(15)21-22(12)6-8)13(23)20-9-5-17-7-19-14(9)24-2/h10-14H,2-9H2,1H3,(H2,24,29)(H,28,34);5-6,9-11H,7-8H2,1-4H3,(H2,19,24)(H,22,27);5-8,10,23H,1-4H2,(H2,19,25)(H,24,27);4-5,8-9H,6-7H2,1-3H3,(H2,17,22)(H,20,25);4-7H,3H2,2H3,(H2,15,21)(H,20,23)
• InChIKey: MBGOEAWCNATNJA-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 660.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 47
• Rotatable Bonds: 27
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1964.03
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159516511) is 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1ncncc1NC(=O)c1c(N)nn2ccc(OCCN(C)C)nc12.CN1CCN(C(=O)C2CCN(c3ncncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1.COc1ncncc1NC(=O)c1c(N)nn2ccc(OCCN(C)C)nc12.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1OC1CC2(CCN2)C1.[C-]#[N+]Cc1cnc2c(C(=O)Nc3cncnc3OC)c(N)nn2c1.

What is the InChIKey of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is MBGOEAWCNATNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN10O2.C18H24N8O3.C17H17FN8O2.C16H20N8O3.C14H12N8O2/c1-30-6-8-32(9-7-30)22(35)14-2-4-31(5-3-14)19-16(11-25-13-27-19)28-21(34)17-18(24)29-33-12-15(23)10-26-20(17)33;1-11(2)29-18-12(9-20-10-21-18)22-17(27)14-15(19)24-26-6-5-13(23-16(14)26)28-8-7-25(3)4;18-9-5-21-14-12(13(19)25-26(14)7-9)15(27)24-11-6-20-8-22-16(11)28-10-3-17(4-10)1-2-23-17;1-23(2)6-7-27-11-4-5-24-14(21-11)12(13(17)22-24)15(25)20-10-8-18-9-19-16(10)26-3;1-16-3-8-4-18-12-10(11(15)21-22(12)6-8)13(23)20-9-5-17-7-19-14(9)24-2/h10-14H,2-9H2,1H3,(H2,24,29)(H,28,34);5-6,9-11H,7-8H2,1-4H3,(H2,19,24)(H,22,27);5-8,10,23H,1-4H2,(H2,19,25)(H,24,27);4-5,8-9H,6-7H2,1-3H3,(H2,17,22)(H,20,25);4-7H,3H2,2H3,(H2,15,21)(H,20,23).

What are the key properties of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1964.03 g/mol, XLogP of 3.42, 27 rotatable bonds, 11 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159516511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).