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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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

C104H114ClF5N48O12 — CID 158540930

IUPAC2-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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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
SMILESCN1CCC(Oc2ncncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1.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
InChIInChI=1S/2C18H19FN8O2.C17H19ClN8O2.3C17H19FN8O2/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;2*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);2*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
InChIKeyHOMWUFOJWQGURP-KGYCSUBESA-N
MW2358.82 g/mol
LogP6.31
Rot. Bonds24

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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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 158540930) has the molecular formula C104H114ClF5N48O12 and a molecular weight of 2358.82 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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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 Name2-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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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 CID158540930
Molecular FormulaC104H114ClF5N48O12
Molecular Weight2358.82 g/mol
Exact Mass2356.94
IUPAC Name2-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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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
SMILESCN1CCC(Oc2ncncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1.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
InChIInChI=1S/2C18H19FN8O2.C17H19ClN8O2.3C17H19FN8O2/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;2*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);2*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
InChIKeyHOMWUFOJWQGURP-KGYCSUBESA-N
XLogP6.31
TPSA741.36 Ų
H-Bond Donors12
H-Bond Acceptors54
Rotatable Bonds24
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002358.82
LogP ≤ 56.31
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1054

Analyze 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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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 with MolForge

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Related Compounds

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
CID 85473434
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
CID 85473435
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123608770
2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157278149
2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159710854
2-amino-6-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160730565
2-amino-6-chloro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]oxypyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161501723
2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)pyrimidin-5-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-propan-2-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-(isocyanomethyl)-N-(4-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159516511
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

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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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 158540930) 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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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(Cl)cnc23)CC1.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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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 HOMWUFOJWQGURP-KGYCSUBESA-N. The full InChI is InChI=1S/2C18H19FN8O2.C17H19ClN8O2.3C17H19FN8O2/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;2*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);2*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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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 2358.82 g/mol, XLogP of 6.31, 24 rotatable bonds, 12 hydrogen bond donors, and 54 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-chloro-N-[4-(1-methylpiperidin-4-yl)oxypyrimidin-5-yl]pyrazolo[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 158540930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).