3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C107H100F17N25O6 — CID 164952099

IUPAC3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(-c3ccn(C(F)F)c3)c2n1)c1cc(F)ccc1OCC(F)F.CC(Nc1ccn2ncc(-c3ccn(C4CC4)c3)c2n1)c1cc(F)ccc1OCC(F)F.C[C@@H](Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCC(F)F.C[C@@H](Nc1ccn2ncc(-c3ccn(C)c3)c2n1)c1cc(F)ccc1OCC(F)F.C[C@@H](Nc1ccn2ncc(-c3ccn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)F
InChIInChI=1S/C23H22F3N5O.C22H22F3N5O2.C21H18F5N5O.C21H20F3N5O.C20H18F3N5O/c1-14(18-10-16(24)2-5-20(18)32-13-21(25)26)28-22-7-9-31-23(29-22)19(11-27-31)15-6-8-30(12-15)17-3-4-17;1-14(17-10-16(23)2-3-19(17)32-13-20(24)25)27-21-5-7-30-22(28-21)18(11-26-30)15-4-6-29(12-15)8-9-31;1-12(15-8-14(22)2-3-17(15)32-11-18(23)24)28-19-5-7-31-20(29-19)16(9-27-31)13-4-6-30(10-13)21(25)26;1-13(16-9-15(22)3-4-18(16)30-12-19(23)24)26-20-6-8-29-21(27-20)17(10-25-29)14-5-7-28(2)11-14;1-12(15-8-14(21)2-3-17(15)29-11-18(22)23)26-19-5-7-28-20(27-19)16(10-25-28)13-4-6-24-9-13/h2,5-12,14,17,21H,3-4,13H2,1H3,(H,28,29);2-7,10-12,14,20,31H,8-9,13H2,1H3,(H,27,28);2-10,12,18,21H,11H2,1H3,(H,28,29);3-11,13,19H,12H2,1-2H3,(H,26,27);2-10,12,18,24H,11H2,1H3,(H,26,27)/t;14-;;13-;12-/m.1.11/s1
InChIKeyARCASXHUZQBAJI-IKLUNUILSA-N
MW2155.11 g/mol
LogP24.56
Rot. Bonds39

About 3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 164952099) has the molecular formula C107H100F17N25O6 and a molecular weight of 2155.11 g/mol. Its IUPAC name is 3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID164952099
Molecular FormulaC107H100F17N25O6
Molecular Weight2155.11 g/mol
Exact Mass2153.80
IUPAC Name3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(-c3ccn(C(F)F)c3)c2n1)c1cc(F)ccc1OCC(F)F.CC(Nc1ccn2ncc(-c3ccn(C4CC4)c3)c2n1)c1cc(F)ccc1OCC(F)F.C[C@@H](Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCC(F)F.C[C@@H](Nc1ccn2ncc(-c3ccn(C)c3)c2n1)c1cc(F)ccc1OCC(F)F.C[C@@H](Nc1ccn2ncc(-c3ccn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)F
InChIInChI=1S/C23H22F3N5O.C22H22F3N5O2.C21H18F5N5O.C21H20F3N5O.C20H18F3N5O/c1-14(18-10-16(24)2-5-20(18)32-13-21(25)26)28-22-7-9-31-23(29-22)19(11-27-31)15-6-8-30(12-15)17-3-4-17;1-14(17-10-16(23)2-3-19(17)32-13-20(24)25)27-21-5-7-30-22(28-21)18(11-26-30)15-4-6-29(12-15)8-9-31;1-12(15-8-14(22)2-3-17(15)32-11-18(23)24)28-19-5-7-31-20(29-19)16(9-27-31)13-4-6-30(10-13)21(25)26;1-13(16-9-15(22)3-4-18(16)30-12-19(23)24)26-20-6-8-29-21(27-20)17(10-25-29)14-5-7-28(2)11-14;1-12(15-8-14(21)2-3-17(15)29-11-18(22)23)26-19-5-7-28-20(27-19)16(10-25-28)13-4-6-24-9-13/h2,5-12,14,17,21H,3-4,13H2,1H3,(H,28,29);2-7,10-12,14,20,31H,8-9,13H2,1H3,(H,27,28);2-10,12,18,21H,11H2,1H3,(H,28,29);3-11,13,19H,12H2,1-2H3,(H,26,27);2-10,12,18,24H,11H2,1H3,(H,26,27)/t;14-;;13-;12-/m.1.11/s1
InChIKeyARCASXHUZQBAJI-IKLUNUILSA-N
XLogP24.56
TPSA312.99 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds39
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002155.11
LogP ≤ 524.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine with MolForge

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Related Compounds

2-[4-[3-[[3-[4-[4-[3-[[3-[2-[4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]propoxy]-2,6-difluoro-5-methoxyphenyl]methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]oxy-2,6-difluoro-5-methoxyphenyl]methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazol-1-yl]ethanol
CID 146304384
2-[4-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
CID 155668471
2-[4-[3-[[2-[3-[4-[3-[3-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidin-1-yl]propoxy]-3,5-difluoro-6-methoxy-4-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethanol
CID 156392791
3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-5-[1-[1-[1-[2,4-difluoro-5-methoxy-3-[[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]propan-2-yl]piperidin-4-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 156392821
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 157097765
4-[5-(1-cyclobutylpyrazol-4-yl)-2-(1-phenoxypropan-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157116905
3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)pyridin-1-ium-3-yl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;[(1S,2R)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]methanol;2-[(1S)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]propan-2-ol
CID 157205293
N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(2-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-phenyl-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157307599
2,2-dimethyl-3-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine;1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol;N,N,2-trimethyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine
CID 157439532
(2S)-1-benzyl-5,5-difluoro-2-methylpiperidin-4-ol;(2S)-5,5-difluoro-1,2-dimethylpiperidin-4-ol;5-[(2R,4R)-5,5-difluoro-1,2-dimethylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(2S,4S)-5,5-difluoro-1,2-dimethylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(5,5-difluoro-1,2-dimethylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 157525949
3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]-difluoromethyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 157549360

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 164952099) is 3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is CC(Nc1ccn2ncc(-c3ccn(C(F)F)c3)c2n1)c1cc(F)ccc1OCC(F)F.CC(Nc1ccn2ncc(-c3ccn(C4CC4)c3)c2n1)c1cc(F)ccc1OCC(F)F.C[C@@H](Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCC(F)F.C[C@@H](Nc1ccn2ncc(-c3ccn(C)c3)c2n1)c1cc(F)ccc1OCC(F)F.C[C@@H](Nc1ccn2ncc(-c3ccn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)F.
What is the InChIKey of 3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ARCASXHUZQBAJI-IKLUNUILSA-N. The full InChI is InChI=1S/C23H22F3N5O.C22H22F3N5O2.C21H18F5N5O.C21H20F3N5O.C20H18F3N5O/c1-14(18-10-16(24)2-5-20(18)32-13-21(25)26)28-22-7-9-31-23(29-22)19(11-27-31)15-6-8-30(12-15)17-3-4-17;1-14(17-10-16(23)2-3-19(17)32-13-20(24)25)27-21-5-7-30-22(28-21)18(11-26-30)15-4-6-29(12-15)8-9-31;1-12(15-8-14(22)2-3-17(15)32-11-18(23)24)28-19-5-7-31-20(29-19)16(9-27-31)13-4-6-30(10-13)21(25)26;1-13(16-9-15(22)3-4-18(16)30-12-19(23)24)26-20-6-8-29-21(27-20)17(10-25-29)14-5-7-28(2)11-14;1-12(15-8-14(21)2-3-17(15)29-11-18(22)23)26-19-5-7-28-20(27-19)16(10-25-28)13-4-6-24-9-13/h2,5-12,14,17,21H,3-4,13H2,1H3,(H,28,29);2-7,10-12,14,20,31H,8-9,13H2,1H3,(H,27,28);2-10,12,18,21H,11H2,1H3,(H,28,29);3-11,13,19H,12H2,1-2H3,(H,26,27);2-10,12,18,24H,11H2,1H3,(H,26,27)/t;14-;;13-;12-/m.1.11/s1.
What are the key properties of 3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 2155.11 g/mol, XLogP of 24.56, 39 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpyrrol-3-yl)-N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-[1-(difluoromethyl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 164952099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).