2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C127H126F3N35O12 — CID 158955162

About 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158955162) has the molecular formula C127H126F3N35O12 and a molecular weight of 2391.63 g/mol. Its IUPAC name is 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 158955162
• Molecular Formula: C127H126F3N35O12
• Molecular Weight: 2391.63 g/mol
• Exact Mass: 2390.03
• IUPAC Name: 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.Cc1ccc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
• InChI: InChI=1S/C27H25N7O2.C26H26N8O2.C26H28N6O3.C25H27N7O3.C23H20F3N7O2/c1-18-2-3-20(31-26(35)19-4-8-29-23(14-19)27(17-28)6-7-27)15-21(18)22-16-25(33-10-12-36-13-11-33)34-24(32-22)5-9-30-34;1-17-4-5-19(30-25(35)18-12-22(32-28-15-18)26(2,3)16-27)13-20(17)21-14-24(33-8-10-36-11-9-33)34-23(31-21)6-7-29-34;1-17-4-5-19(29-25(33)18-6-8-27-22(14-18)26(2,3)34)15-20(17)21-16-24(31-10-12-35-13-11-31)32-23(30-21)7-9-28-32;1-16-19(20-14-23(31-8-10-35-11-9-31)32-22(30-20)5-7-28-32)13-18(15-27-16)29-24(33)17-4-6-26-21(12-17)25(2,3)34;1-14-17(18-12-21(32-6-8-35-9-7-32)33-20(31-18)3-5-29-33)11-16(13-28-14)30-22(34)15-2-4-27-19(10-15)23(24,25)26/h2-5,8-9,14-16H,6-7,10-13H2,1H3,(H,31,35);4-7,12-15H,8-11H2,1-3H3,(H,30,35);4-9,14-16,34H,10-13H2,1-3H3,(H,29,33);4-7,12-15,34H,8-11H2,1-3H3,(H,29,33);2-5,10-13H,6-9H2,1H3,(H,30,34)
• InChIKey: JLXIXTWXKXRFDV-UHFFFAOYSA-N
• XLogP: 16.96
• TPSA: 549.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 24
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2391.63
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158955162) is 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.Cc1ccc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.

What is the InChIKey of 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is JLXIXTWXKXRFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2.C26H26N8O2.C26H28N6O3.C25H27N7O3.C23H20F3N7O2/c1-18-2-3-20(31-26(35)19-4-8-29-23(14-19)27(17-28)6-7-27)15-21(18)22-16-25(33-10-12-36-13-11-33)34-24(32-22)5-9-30-34;1-17-4-5-19(30-25(35)18-12-22(32-28-15-18)26(2,3)16-27)13-20(17)21-14-24(33-8-10-36-11-9-33)34-23(31-21)6-7-29-34;1-17-4-5-19(29-25(33)18-6-8-27-22(14-18)26(2,3)34)15-20(17)21-16-24(31-10-12-35-13-11-31)32-23(30-21)7-9-28-32;1-16-19(20-14-23(31-8-10-35-11-9-31)32-22(30-20)5-7-28-32)13-18(15-27-16)29-24(33)17-4-6-26-21(12-17)25(2,3)34;1-14-17(18-12-21(32-6-8-35-9-7-32)33-20(31-18)3-5-29-33)11-16(13-28-14)30-22(34)15-2-4-27-19(10-15)23(24,25)26/h2-5,8-9,14-16H,6-7,10-13H2,1H3,(H,31,35);4-7,12-15H,8-11H2,1-3H3,(H,30,35);4-9,14-16,34H,10-13H2,1-3H3,(H,29,33);4-7,12-15,34H,8-11H2,1-3H3,(H,29,33);2-5,10-13H,6-9H2,1H3,(H,30,34).

What are the key properties of 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2391.63 g/mol, XLogP of 16.96, 24 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158955162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).