bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C110H108F18N42O13 — CID 158774447

About bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158774447) has the molecular formula C110H108F18N42O13 and a molecular weight of 2568.32 g/mol. Its IUPAC name is bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158774447
• Molecular Formula: C110H108F18N42O13
• Molecular Weight: 2568.32 g/mol
• Exact Mass: 2566.88
• IUPAC Name: bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CC[C@@H](Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CC2(CCN2)C1.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CC2(CCN2)C1.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CCCNC1.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OCCN1CCOCC1.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1O[C@H]1CCNC1
• InChI: InChI=1S/C19H20F3N7O3.2C19H18F3N7O2.2C18H18F3N7O2.C17H16F3N7O2/c20-19(21,22)14-2-4-29-17(26-14)15(16(23)27-29)18(30)25-12-11-24-3-1-13(12)32-10-7-28-5-8-31-9-6-28;2*20-19(21,22)13-2-6-29-16(27-13)14(15(23)28-29)17(30)26-11-9-24-4-1-12(11)31-10-7-18(8-10)3-5-25-18;1-27-6-3-10(9-27)30-12-2-5-23-8-11(12)24-17(29)14-15(22)26-28-7-4-13(18(19,20)21)25-16(14)28;19-18(20,21)13-4-7-28-16(26-13)14(15(22)27-28)17(29)25-11-9-24-6-3-12(11)30-10-2-1-5-23-8-10;18-17(19,20)12-3-6-27-15(25-12)13(14(21)26-27)16(28)24-10-8-23-5-2-11(10)29-9-1-4-22-7-9/h1-4,11H,5-10H2,(H2,23,27)(H,25,30);2*1-2,4,6,9-10,25H,3,5,7-8H2,(H2,23,28)(H,26,30);2,4-5,7-8,10H,3,6,9H2,1H3,(H2,22,26)(H,24,29);3-4,6-7,9-10,23H,1-2,5,8H2,(H2,22,27)(H,25,29);2-3,5-6,8-9,22H,1,4,7H2,(H2,21,26)(H,24,28)/t;;;10-;;9-/m...1.0/s1
• InChIKey: IQHJAQCNMSAOFI-KVLLLKJRSA-N
• XLogP: 12.08
• TPSA: 708.41 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 49
• Rotatable Bonds: 26
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2568.32
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158774447) is bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC[C@@H](Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CC2(CCN2)C1.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CC2(CCN2)C1.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CCCNC1.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OCCN1CCOCC1.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1O[C@H]1CCNC1.

What is the InChIKey of bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IQHJAQCNMSAOFI-KVLLLKJRSA-N. The full InChI is InChI=1S/C19H20F3N7O3.2C19H18F3N7O2.2C18H18F3N7O2.C17H16F3N7O2/c20-19(21,22)14-2-4-29-17(26-14)15(16(23)27-29)18(30)25-12-11-24-3-1-13(12)32-10-7-28-5-8-31-9-6-28;2*20-19(21,22)13-2-6-29-16(27-13)14(15(23)28-29)17(30)26-11-9-24-4-1-12(11)31-10-7-18(8-10)3-5-25-18;1-27-6-3-10(9-27)30-12-2-5-23-8-11(12)24-17(29)14-15(22)26-28-7-4-13(18(19,20)21)25-16(14)28;19-18(20,21)13-4-7-28-16(26-13)14(15(22)27-28)17(29)25-11-9-24-6-3-12(11)30-10-2-1-5-23-8-10;18-17(19,20)12-3-6-27-15(25-12)13(14(21)26-27)16(28)24-10-8-23-5-2-11(10)29-9-1-4-22-7-9/h1-4,11H,5-10H2,(H2,23,27)(H,25,30);2*1-2,4,6,9-10,25H,3,5,7-8H2,(H2,23,28)(H,26,30);2,4-5,7-8,10H,3,6,9H2,1H3,(H2,22,26)(H,24,29);3-4,6-7,9-10,23H,1-2,5,8H2,(H2,22,27)(H,25,29);2-3,5-6,8-9,22H,1,4,7H2,(H2,21,26)(H,24,28)/t;;;10-;;9-/m...1.0/s1.

What are the key properties of bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2568.32 g/mol, XLogP of 12.08, 26 rotatable bonds, 16 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158774447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).