2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C94H93F5N34O13 — CID 158416406

About 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158416406) has the molecular formula C94H93F5N34O13 and a molecular weight of 2001.99 g/mol. Its IUPAC name is 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158416406
• Molecular Formula: C94H93F5N34O13
• Molecular Weight: 2001.99 g/mol
• Exact Mass: 2000.76
• IUPAC Name: 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1OC1CCC(C(=O)O)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1OC1CN2CCC1CC2.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1O[C@@H]1CN2CCC1CC2.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1O[C@H]1CCCN(C2COC2)C1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1Oc1cccnc1
• InChI: InChI=1S/C20H22FN7O3.2C19H20FN7O2.C19H19FN6O4.C17H12FN7O2/c21-12-6-24-19-17(18(22)26-28(19)8-12)20(29)25-15-7-23-4-3-16(15)31-14-2-1-5-27(9-14)13-10-30-11-13;2*20-12-7-23-18-16(17(21)25-27(18)9-12)19(28)24-13-8-22-4-1-14(13)29-15-10-26-5-2-11(15)3-6-26;20-11-7-23-17-15(16(21)25-26(17)9-11)18(27)24-13-8-22-6-5-14(13)30-12-3-1-10(2-4-12)19(28)29;18-10-6-22-16-14(15(19)24-25(16)9-10)17(26)23-12-8-21-5-3-13(12)27-11-2-1-4-20-7-11/h3-4,6-8,13-14H,1-2,5,9-11H2,(H2,22,26)(H,25,29);2*1,4,7-9,11,15H,2-3,5-6,10H2,(H2,21,25)(H,24,28);5-10,12H,1-4H2,(H2,21,25)(H,24,27)(H,28,29);1-9H,(H2,19,24)(H,23,26)/t14-;15-;;;/m01.../s1
• InChIKey: GZYICOQHJIEUGH-FBKJZUAWSA-N
• XLogP: 8.89
• TPSA: 606.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 22
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2001.99
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158416406) is 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1OC1CCC(C(=O)O)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1OC1CN2CCC1CC2.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1O[C@@H]1CN2CCC1CC2.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1O[C@H]1CCCN(C2COC2)C1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1Oc1cccnc1.

What is the InChIKey of 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GZYICOQHJIEUGH-FBKJZUAWSA-N. The full InChI is InChI=1S/C20H22FN7O3.2C19H20FN7O2.C19H19FN6O4.C17H12FN7O2/c21-12-6-24-19-17(18(22)26-28(19)8-12)20(29)25-15-7-23-4-3-16(15)31-14-2-1-5-27(9-14)13-10-30-11-13;2*20-12-7-23-18-16(17(21)25-27(18)9-12)19(28)24-13-8-22-4-1-14(13)29-15-10-26-5-2-11(15)3-6-26;20-11-7-23-17-15(16(21)25-26(17)9-11)18(27)24-13-8-22-6-5-14(13)30-12-3-1-10(2-4-12)19(28)29;18-10-6-22-16-14(15(19)24-25(16)9-10)17(26)23-12-8-21-5-3-13(12)27-11-2-1-4-20-7-11/h3-4,6-8,13-14H,1-2,5,9-11H2,(H2,22,26)(H,25,29);2*1,4,7-9,11,15H,2-3,5-6,10H2,(H2,21,25)(H,24,28);5-10,12H,1-4H2,(H2,21,25)(H,24,27)(H,28,29);1-9H,(H2,19,24)(H,23,26)/t14-;15-;;;/m01.../s1.

What are the key properties of 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2001.99 g/mol, XLogP of 8.89, 22 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158416406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).