1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C112H108F12N28O9 — CID 162133809

IUPAC1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(=O)c1c(N)nn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.CCOC(=O)c1c(C)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCOC(=O)c1c(N)nn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.CNC(=O)c1c(C)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.Cc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)O.Cc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(N)=O
InChIInChI=1S/C20H20F2N4O2.C19H19F2N5O2.C19H19F2N5O.2C18H17F2N5O.C18H16F2N4O2/c1-3-28-20(27)18-12(2)24-26-10-8-17(23-19(18)26)25-9-4-5-16(25)14-11-13(21)6-7-15(14)22;1-2-28-19(27)16-17(22)24-26-9-7-15(23-18(16)26)25-8-3-4-14(25)12-10-11(20)5-6-13(12)21;1-11-17(19(27)22-2)18-23-16(7-9-26(18)24-11)25-8-3-4-15(25)13-10-12(20)5-6-14(13)21;1-10(26)16-17(21)23-25-8-6-15(22-18(16)25)24-7-2-3-14(24)12-9-11(19)4-5-13(12)20;1-10-16(17(21)26)18-22-15(6-8-25(18)23-10)24-7-2-3-14(24)12-9-11(19)4-5-13(12)20;1-10-16(18(25)26)17-21-15(6-8-24(17)22-10)23-7-2-3-14(23)12-9-11(19)4-5-13(12)20/h6-8,10-11,16H,3-5,9H2,1-2H3;5-7,9-10,14H,2-4,8H2,1H3,(H2,22,24);5-7,9-10,15H,3-4,8H2,1-2H3,(H,22,27);4-6,8-9,14H,2-3,7H2,1H3,(H2,21,23);4-6,8-9,14H,2-3,7H2,1H3,(H2,21,26);4-6,8-9,14H,2-3,7H2,1H3,(H,25,26)/t16-;;15-;;2*14-/m1.1.11/s1
InChIKeyZIZSVCULXLEXCX-LTTJZLIESA-N
MW2218.26 g/mol
LogP19.20
Rot. Bonds20

About 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 162133809) has the molecular formula C112H108F12N28O9 and a molecular weight of 2218.26 g/mol. Its IUPAC name is 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID162133809
Molecular FormulaC112H108F12N28O9
Molecular Weight2218.26 g/mol
Exact Mass2216.87
IUPAC Name1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(=O)c1c(N)nn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.CCOC(=O)c1c(C)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCOC(=O)c1c(N)nn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.CNC(=O)c1c(C)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.Cc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)O.Cc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(N)=O
InChIInChI=1S/C20H20F2N4O2.C19H19F2N5O2.C19H19F2N5O.2C18H17F2N5O.C18H16F2N4O2/c1-3-28-20(27)18-12(2)24-26-10-8-17(23-19(18)26)25-9-4-5-16(25)14-11-13(21)6-7-15(14)22;1-2-28-19(27)16-17(22)24-26-9-7-15(23-18(16)26)25-8-3-4-14(25)12-10-11(20)5-6-13(12)21;1-11-17(19(27)22-2)18-23-16(7-9-26(18)24-11)25-8-3-4-15(25)13-10-12(20)5-6-14(13)21;1-10(26)16-17(21)23-25-8-6-15(22-18(16)25)24-7-2-3-14(24)12-9-11(19)4-5-13(12)20;1-10-16(17(21)26)18-22-15(6-8-25(18)23-10)24-7-2-3-14(24)12-9-11(19)4-5-13(12)20;1-10-16(18(25)26)17-21-15(6-8-24(17)22-10)23-7-2-3-14(23)12-9-11(19)4-5-13(12)20/h6-8,10-11,16H,3-5,9H2,1-2H3;5-7,9-10,14H,2-4,8H2,1H3,(H2,22,24);5-7,9-10,15H,3-4,8H2,1-2H3,(H,22,27);4-6,8-9,14H,2-3,7H2,1H3,(H2,21,23);4-6,8-9,14H,2-3,7H2,1H3,(H2,21,26);4-6,8-9,14H,2-3,7H2,1H3,(H,25,26)/t16-;;15-;;2*14-/m1.1.11/s1
InChIKeyZIZSVCULXLEXCX-LTTJZLIESA-N
XLogP19.20
TPSA431.78 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.26
LogP ≤ 519.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Related Compounds

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(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-ethyl-4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate
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CID 157877541
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1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone;methyl (3R,4R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperidine-4-carboxylate
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CID 158635466
CID 158635466
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benzyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate;(4-ethoxypiperidin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone;methyl (3R,5R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5-methylpiperidine-3-carboxylate
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(3S,4S)-4-aminooxolan-3-ol;7-[benzyl(methyl)amino]-5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate)
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CID 159255670

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 162133809) is 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CC(=O)c1c(N)nn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.CCOC(=O)c1c(C)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.CCOC(=O)c1c(N)nn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.CNC(=O)c1c(C)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.Cc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)O.Cc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(N)=O.
What is the InChIKey of 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ZIZSVCULXLEXCX-LTTJZLIESA-N. The full InChI is InChI=1S/C20H20F2N4O2.C19H19F2N5O2.C19H19F2N5O.2C18H17F2N5O.C18H16F2N4O2/c1-3-28-20(27)18-12(2)24-26-10-8-17(23-19(18)26)25-9-4-5-16(25)14-11-13(21)6-7-15(14)22;1-2-28-19(27)16-17(22)24-26-9-7-15(23-18(16)26)25-8-3-4-14(25)12-10-11(20)5-6-13(12)21;1-11-17(19(27)22-2)18-23-16(7-9-26(18)24-11)25-8-3-4-15(25)13-10-12(20)5-6-14(13)21;1-10(26)16-17(21)23-25-8-6-15(22-18(16)25)24-7-2-3-14(24)12-9-11(19)4-5-13(12)20;1-10-16(17(21)26)18-22-15(6-8-25(18)23-10)24-7-2-3-14(24)12-9-11(19)4-5-13(12)20;1-10-16(18(25)26)17-21-15(6-8-24(17)22-10)23-7-2-3-14(23)12-9-11(19)4-5-13(12)20/h6-8,10-11,16H,3-5,9H2,1-2H3;5-7,9-10,14H,2-4,8H2,1H3,(H2,22,24);5-7,9-10,15H,3-4,8H2,1-2H3,(H,22,27);4-6,8-9,14H,2-3,7H2,1H3,(H2,21,23);4-6,8-9,14H,2-3,7H2,1H3,(H2,21,26);4-6,8-9,14H,2-3,7H2,1H3,(H,25,26)/t16-;;15-;;2*14-/m1.1.11/s1.
What are the key properties of 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 2218.26 g/mol, XLogP of 19.20, 20 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 162133809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).