2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide

C61H56Cl3F5IN30O12- — CID 158536236

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide
SMILESCC.COC(=O)c1c(N)n[nH]c1N.COC(=O)c1c(N)nn2cc(F)cnc12.Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.Nc1nn2cc(F)cnc2c1C(=O)O.Nc1nn2cc(F)cnc2c1C(=O)On1nnc2ccccc21.[C-]#[N+]/C(C(=O)OC)=C(\N)C(Cl)(Cl)Cl.[C-]#[N+]CC(C)=O.[I-]
InChIInChI=1S/C16H12F2N8O.C13H8FN7O2.C8H7FN4O2.C7H5FN4O2.C6H5Cl3N2O2.C5H8N4O2.C4H5NO.C2H6.HI/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26;14-7-5-16-12-10(11(15)18-20(12)6-7)13(22)23-21-9-4-2-1-3-8(9)17-19-21;1-15-8(14)5-6(10)12-13-3-4(9)2-11-7(5)13;8-3-1-10-6-4(7(13)14)5(9)11-12(6)2-3;1-11-3(5(12)13-2)4(10)6(7,8)9;1-11-5(10)2-3(6)8-9-4(2)7;1-4(6)3-5-2;1-2;/h2-7H,1H3,(H2,19,24)(H,23,27);1-6H,(H2,15,18);2-3H,1H3,(H2,10,12);1-2H,(H2,9,11)(H,13,14);10H2,2H3;1H3,(H5,6,7,8,9);3H2,1H3;1-2H3;1H/p-1/b;;;;4-3-;;;;
InChIKeyQPKGNHPBHPDBFD-PERDGSGESA-M
MW1729.57 g/mol
LogP1.99
Rot. Bonds10

About 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide

2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide (PubChem CID 158536236) has the molecular formula C61H56Cl3F5IN30O12- and a molecular weight of 1729.57 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide
PubChem CID158536236
Molecular FormulaC61H56Cl3F5IN30O12-
Molecular Weight1729.57 g/mol
Exact Mass1727.27
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide
SMILESCC.COC(=O)c1c(N)n[nH]c1N.COC(=O)c1c(N)nn2cc(F)cnc12.Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.Nc1nn2cc(F)cnc2c1C(=O)O.Nc1nn2cc(F)cnc2c1C(=O)On1nnc2ccccc21.[C-]#[N+]/C(C(=O)OC)=C(\N)C(Cl)(Cl)Cl.[C-]#[N+]CC(C)=O.[I-]
InChIInChI=1S/C16H12F2N8O.C13H8FN7O2.C8H7FN4O2.C7H5FN4O2.C6H5Cl3N2O2.C5H8N4O2.C4H5NO.C2H6.HI/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26;14-7-5-16-12-10(11(15)18-20(12)6-7)13(22)23-21-9-4-2-1-3-8(9)17-19-21;1-15-8(14)5-6(10)12-13-3-4(9)2-11-7(5)13;8-3-1-10-6-4(7(13)14)5(9)11-12(6)2-3;1-11-3(5(12)13-2)4(10)6(7,8)9;1-11-5(10)2-3(6)8-9-4(2)7;1-4(6)3-5-2;1-2;/h2-7H,1H3,(H2,19,24)(H,23,27);1-6H,(H2,15,18);2-3H,1H3,(H2,10,12);1-2H,(H2,9,11)(H,13,14);10H2,2H3;1H3,(H5,6,7,8,9);3H2,1H3;1-2H3;1H/p-1/b;;;;4-3-;;;;
InChIKeyQPKGNHPBHPDBFD-PERDGSGESA-M
XLogP1.99
TPSA590.39 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001729.57
LogP ≤ 51.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide with MolForge

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Related Compounds

sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide
CID 159774115
lithium;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide;2-(chloromethyl)imidazo[1,2-a]pyridine;1,3-dichloropropan-2-one;ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxylic acid;pyridin-2-amine;hydroxide;hydrate;hydrochloride
CID 158639404
Bis(1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid);tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 159953805
5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 161000385
Bis(1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylic acid);tert-butyl 1-[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-5-fluoro-4-pyridinyl]piperidine-4-carboxylate;tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate;(6-chlorobenzotriazol-1-yl) 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;2,2,3,3,5,5,6,6-octadeuteriopiperidine;hydrochloride
CID 161196166
tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(difluoromethyl)-4-[(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;triazolo[4,5-b]pyridin-3-yl 5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 161910829

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide (CID 158536236) is 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide is CC.COC(=O)c1c(N)n[nH]c1N.COC(=O)c1c(N)nn2cc(F)cnc12.Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.Nc1nn2cc(F)cnc2c1C(=O)O.Nc1nn2cc(F)cnc2c1C(=O)On1nnc2ccccc21.[C-]#[N+]/C(C(=O)OC)=C(\N)C(Cl)(Cl)Cl.[C-]#[N+]CC(C)=O.[I-].
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide?
The InChIKey is QPKGNHPBHPDBFD-PERDGSGESA-M. The full InChI is InChI=1S/C16H12F2N8O.C13H8FN7O2.C8H7FN4O2.C7H5FN4O2.C6H5Cl3N2O2.C5H8N4O2.C4H5NO.C2H6.HI/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26;14-7-5-16-12-10(11(15)18-20(12)6-7)13(22)23-21-9-4-2-1-3-8(9)17-19-21;1-15-8(14)5-6(10)12-13-3-4(9)2-11-7(5)13;8-3-1-10-6-4(7(13)14)5(9)11-12(6)2-3;1-11-3(5(12)13-2)4(10)6(7,8)9;1-11-5(10)2-3(6)8-9-4(2)7;1-4(6)3-5-2;1-2;/h2-7H,1H3,(H2,19,24)(H,23,27);1-6H,(H2,15,18);2-3H,1H3,(H2,10,12);1-2H,(H2,9,11)(H,13,14);10H2,2H3;1H3,(H5,6,7,8,9);3H2,1H3;1-2H3;1H/p-1/b;;;;4-3-;;;;.
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide?
2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide has a molecular weight of 1729.57 g/mol, XLogP of 1.99, 10 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;benzotriazol-1-yl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethane;1-isocyanopropan-2-one;methyl 2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl (Z)-3-amino-4,4,4-trichloro-2-isocyanobut-2-enoate;methyl 3,5-diamino-1H-pyrazole-4-carboxylate;iodide is sourced from PubChem (CID 158536236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).