5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C60H69F3N22O6 — CID 157431034

About 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157431034) has the molecular formula C60H69F3N22O6 and a molecular weight of 1257.39 g/mol. Its IUPAC name is 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 157431034
• Molecular Formula: C60H69F3N22O6
• Molecular Weight: 1257.39 g/mol
• Exact Mass: 1256.61
• IUPAC Name: 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C=C(N[C@H]1C[C@H]1F)c1cnn2c(NCCCN3CCOCC3)cc(Nc3cccnc3OC)nc12.[2H]C([2H])([2H])Nc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
• InChI: InChI=1S/C24H31FN8O2.C19H20FN7O2.C17H18FN7O2/c1-16(29-20-13-18(20)25)17-15-28-33-22(26-7-4-8-32-9-11-35-12-10-32)14-21(31-23(17)33)30-19-5-3-6-27-24(19)34-2;1-21-16-8-15(24-13-3-2-6-22-19(13)29-10-4-5-10)26-17-11(9-23-27(16)17)18(28)25-14-7-12(14)20;1-19-14-7-13(22-11-4-3-5-20-17(11)27-2)24-15-9(8-21-25(14)15)16(26)23-12-6-10(12)18/h3,5-6,14-15,18,20,26,29H,1,4,7-13H2,2H3,(H,30,31);2-3,6,8-10,12,14,21H,4-5,7H2,1H3,(H,24,26)(H,25,28);3-5,7-8,10,12,19H,6H2,1-2H3,(H,22,24)(H,23,26)/t18-,20+;12-,14+;10-,12+/m111/s1/i;2*1D3
• InChIKey: BQNPPUGDVQSEJV-RLHIBREGSA-N
• XLogP: 6.73
• TPSA: 311.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1257.39
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157431034) is 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=C(N[C@H]1C[C@H]1F)c1cnn2c(NCCCN3CCOCC3)cc(Nc3cccnc3OC)nc12.[2H]C([2H])([2H])Nc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.

What is the InChIKey of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BQNPPUGDVQSEJV-RLHIBREGSA-N. The full InChI is InChI=1S/C24H31FN8O2.C19H20FN7O2.C17H18FN7O2/c1-16(29-20-13-18(20)25)17-15-28-33-22(26-7-4-8-32-9-11-35-12-10-32)14-21(31-23(17)33)30-19-5-3-6-27-24(19)34-2;1-21-16-8-15(24-13-3-2-6-22-19(13)29-10-4-5-10)26-17-11(9-23-27(16)17)18(28)25-14-7-12(14)20;1-19-14-7-13(22-11-4-3-5-20-17(11)27-2)24-15-9(8-21-25(14)15)16(26)23-12-6-10(12)18/h3,5-6,14-15,18,20,26,29H,1,4,7-13H2,2H3,(H,30,31);2-3,6,8-10,12,14,21H,4-5,7H2,1H3,(H,24,26)(H,25,28);3-5,7-8,10,12,19H,6H2,1-2H3,(H,22,24)(H,23,26)/t18-,20+;12-,14+;10-,12+/m111/s1/i;2*1D3.

What are the key properties of 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1257.39 g/mol, XLogP of 6.73, 26 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[1-[[(1S,2R)-2-fluorocyclopropyl]amino]ethenyl]-5-N-(2-methoxy-3-pyridinyl)-7-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157431034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).