2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C87H95F5N40O10 — CID 160629074

About 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 160629074) has the molecular formula C87H95F5N40O10 and a molecular weight of 1955.98 g/mol. Its IUPAC name is 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 160629074
• Molecular Formula: C87H95F5N40O10
• Molecular Weight: 1955.98 g/mol
• Exact Mass: 1954.81
• IUPAC Name: 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CCC(Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.CN1CCC[C@@H](Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.CN1CCC[C@H](Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1O[C@@H]1CN2CCC1CC2.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1O[C@H]1CN2CCC1CC2
• InChI: InChI=1S/2C18H19FN8O2.3C17H19FN8O2/c2*19-11-5-22-16-14(15(20)25-27(16)7-11)17(28)24-12-6-21-9-23-18(12)29-13-8-26-3-1-10(13)2-4-26;1-25-4-2-11(3-5-25)28-17-12(7-20-9-22-17)23-16(27)13-14(19)24-26-8-10(18)6-21-15(13)26;2*1-25-4-2-3-11(8-25)28-17-12(6-20-9-22-17)23-16(27)13-14(19)24-26-7-10(18)5-21-15(13)26/h2*5-7,9-10,13H,1-4,8H2,(H2,20,25)(H,24,28);6-9,11H,2-5H2,1H3,(H2,19,24)(H,23,27);2*5-7,9,11H,2-4,8H2,1H3,(H2,19,24)(H,23,27)/t2*13-;;2*11-/m10.10/s1
• InChIKey: RHRPAUXLWUELIB-QYGUYZSZSA-N
• XLogP: 4.83
• TPSA: 617.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 45
• Rotatable Bonds: 20
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1955.98
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 160629074) is 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.CN1CCC[C@@H](Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.CN1CCC[C@H](Oc2ncncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1O[C@@H]1CN2CCC1CC2.Nc1nn2cc(F)cnc2c1C(=O)Nc1cncnc1O[C@H]1CN2CCC1CC2.

What is the InChIKey of 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is RHRPAUXLWUELIB-QYGUYZSZSA-N. The full InChI is InChI=1S/2C18H19FN8O2.3C17H19FN8O2/c2*19-11-5-22-16-14(15(20)25-27(16)7-11)17(28)24-12-6-21-9-23-18(12)29-13-8-26-3-1-10(13)2-4-26;1-25-4-2-11(3-5-25)28-17-12(7-20-9-22-17)23-16(27)13-14(19)24-26-8-10(18)6-21-15(13)26;2*1-25-4-2-3-11(8-25)28-17-12(6-20-9-22-17)23-16(27)13-14(19)24-26-7-10(18)5-21-15(13)26/h2*5-7,9-10,13H,1-4,8H2,(H2,20,25)(H,24,28);6-9,11H,2-5H2,1H3,(H2,19,24)(H,23,27);2*5-7,9,11H,2-4,8H2,1H3,(H2,19,24)(H,23,27)/t2*13-;;2*11-/m10.10/s1.

What are the key properties of 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1955.98 g/mol, XLogP of 4.83, 20 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpiperidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 160629074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).