2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C114H120F18N42O12 — CID 159381524

IUPAC2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.CN(C)CCCOc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.CN1CCCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1.CN1CCC[C@@H]1COc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CN2CCC1CC2.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1O[C@@H]1CCNC1
InChIInChI=1S/C21H24F3N7O2.C20H20F3N7O2.2C19H20F3N7O2.C18H20F3N7O2.C17H16F3N7O2/c1-30(2)12-3-5-13(6-4-12)33-15-7-9-26-11-14(15)27-20(32)17-18(25)29-31-10-8-16(21(22,23)24)28-19(17)31;21-20(22,23)15-4-8-30-18(27-15)16(17(24)28-30)19(31)26-12-9-25-5-1-13(12)32-14-10-29-6-2-11(14)3-7-29;1-28-7-2-3-11(28)10-31-13-4-6-24-9-12(13)25-18(30)15-16(23)27-29-8-5-14(19(20,21)22)26-17(15)29;1-28-7-2-3-11(10-28)31-13-4-6-24-9-12(13)25-18(30)15-16(23)27-29-8-5-14(19(20,21)22)26-17(15)29;1-27(2)7-3-9-30-12-4-6-23-10-11(12)24-17(29)14-15(22)26-28-8-5-13(18(19,20)21)25-16(14)28;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/h7-13H,3-6H2,1-2H3,(H2,25,29)(H,27,32);1,4-5,8-9,11,14H,2-3,6-7,10H2,(H2,24,28)(H,26,31);2*4-6,8-9,11H,2-3,7,10H2,1H3,(H2,23,27)(H,25,30);4-6,8,10H,3,7,9H2,1-2H3,(H2,22,26)(H,24,29);2-3,5-6,8-9,22H,1,4,7H2,(H2,21,26)(H,24,28)/t;;11-;;;9-/m..1..1/s1
InChIKeyLKYWTXDVDMKVEE-PCXGHWIWSA-N
MW2612.46 g/mol
LogP14.61
Rot. Bonds29

About 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159381524) has the molecular formula C114H120F18N42O12 and a molecular weight of 2612.46 g/mol. Its IUPAC name is 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID159381524
Molecular FormulaC114H120F18N42O12
Molecular Weight2612.46 g/mol
Exact Mass2610.98
IUPAC Name2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.CN(C)CCCOc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.CN1CCCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1.CN1CCC[C@@H]1COc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CN2CCC1CC2.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1O[C@@H]1CCNC1
InChIInChI=1S/C21H24F3N7O2.C20H20F3N7O2.2C19H20F3N7O2.C18H20F3N7O2.C17H16F3N7O2/c1-30(2)12-3-5-13(6-4-12)33-15-7-9-26-11-14(15)27-20(32)17-18(25)29-31-10-8-16(21(22,23)24)28-19(17)31;21-20(22,23)15-4-8-30-18(27-15)16(17(24)28-30)19(31)26-12-9-25-5-1-13(12)32-14-10-29-6-2-11(14)3-7-29;1-28-7-2-3-11(28)10-31-13-4-6-24-9-12(13)25-18(30)15-16(23)27-29-8-5-14(19(20,21)22)26-17(15)29;1-28-7-2-3-11(10-28)31-13-4-6-24-9-12(13)25-18(30)15-16(23)27-29-8-5-14(19(20,21)22)26-17(15)29;1-27(2)7-3-9-30-12-4-6-23-10-11(12)24-17(29)14-15(22)26-28-8-5-13(18(19,20)21)25-16(14)28;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/h7-13H,3-6H2,1-2H3,(H2,25,29)(H,27,32);1,4-5,8-9,11,14H,2-3,6-7,10H2,(H2,24,28)(H,26,31);2*4-6,8-9,11H,2-3,7,10H2,1H3,(H2,23,27)(H,25,30);4-6,8,10H,3,7,9H2,1-2H3,(H2,22,26)(H,24,29);2-3,5-6,8-9,22H,1,4,7H2,(H2,21,26)(H,24,28)/t;;11-;;;9-/m..1..1/s1
InChIKeyLKYWTXDVDMKVEE-PCXGHWIWSA-N
XLogP14.61
TPSA672.81 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds29
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002612.46
LogP ≤ 514.61
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287701
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287702
2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287848
2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86302753
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)pyridin-3-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86302754
2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxypyridin-3-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86302755
2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]pyridin-3-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86304306
2-amino-N-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86304308
5-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90205691
2-amino-N-[4-[(1-methylpyrrolidin-2-yl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90417418
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90448319
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide
CID 123604695

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)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]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159381524) is 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)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]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)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]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.CN(C)CCCOc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.CN1CCCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1.CN1CCC[C@@H]1COc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CN2CCC1CC2.Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1O[C@@H]1CCNC1.
What is the InChIKey of 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LKYWTXDVDMKVEE-PCXGHWIWSA-N. The full InChI is InChI=1S/C21H24F3N7O2.C20H20F3N7O2.2C19H20F3N7O2.C18H20F3N7O2.C17H16F3N7O2/c1-30(2)12-3-5-13(6-4-12)33-15-7-9-26-11-14(15)27-20(32)17-18(25)29-31-10-8-16(21(22,23)24)28-19(17)31;21-20(22,23)15-4-8-30-18(27-15)16(17(24)28-30)19(31)26-12-9-25-5-1-13(12)32-14-10-29-6-2-11(14)3-7-29;1-28-7-2-3-11(28)10-31-13-4-6-24-9-12(13)25-18(30)15-16(23)27-29-8-5-14(19(20,21)22)26-17(15)29;1-28-7-2-3-11(10-28)31-13-4-6-24-9-12(13)25-18(30)15-16(23)27-29-8-5-14(19(20,21)22)26-17(15)29;1-27(2)7-3-9-30-12-4-6-23-10-11(12)24-17(29)14-15(22)26-28-8-5-13(18(19,20)21)25-16(14)28;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/h7-13H,3-6H2,1-2H3,(H2,25,29)(H,27,32);1,4-5,8-9,11,14H,2-3,6-7,10H2,(H2,24,28)(H,26,31);2*4-6,8-9,11H,2-3,7,10H2,1H3,(H2,23,27)(H,25,30);4-6,8,10H,3,7,9H2,1-2H3,(H2,22,26)(H,24,29);2-3,5-6,8-9,22H,1,4,7H2,(H2,21,26)(H,24,28)/t;;11-;;;9-/m..1..1/s1.
What are the key properties of 2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2612.46 g/mol, XLogP of 14.61, 29 rotatable bonds, 13 hydrogen bond donors, and 48 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]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159381524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).