4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate

C105H96Br2N30O10 — CID 157445220

IUPAC4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)C1.COC(=O)c1cc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)c[nH]1.Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCC(C(=O)O)CC4)nc23)c1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc4ncccc4c3)cnn12.Nc1cc(N2CCC3(CC2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H20BrN5O2.C22H20N8O2.C21H16N6O2.C21H20N6O2.C19H20BrN5O2/c23-18-19(12-3-5-13(6-4-12)22(29)30)27-21-16(11-26-28(21)20(18)24)14-7-8-17-15(10-14)2-1-9-25-17;23-17-10-18(29-7-5-22(6-8-29)20(31)27-21(32)28-22)26-19-15(12-25-30(17)19)14-9-13-3-1-2-4-16(13)24-11-14;1-29-21(28)18-7-14(10-24-18)17-8-19(22)27-20(26-17)15(11-25-27)13-6-12-4-2-3-5-16(12)23-9-13;1-29-21(28)14-6-7-26(12-14)19-9-18(22)27-20(25-19)16(11-24-27)15-8-13-4-2-3-5-17(13)23-10-15;1-10-6-13(8-22-7-10)14-9-23-25-17(21)15(20)16(24-18(14)25)11-2-4-12(5-3-11)19(26)27/h1-2,7-13H,3-6,24H2,(H,29,30);1-4,9-12H,5-8,23H2,(H2,27,28,31,32);2-11,24H,22H2,1H3;2-5,8-11,14H,6-7,12,22H2,1H3;6-9,11-12H,2-5,21H2,1H3,(H,26,27)
InChIKeyBSDHXSGUROVNSA-UHFFFAOYSA-N
MW2097.93 g/mol
LogP15.99
Rot. Bonds14

About 4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate

4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate (PubChem CID 157445220) has the molecular formula C105H96Br2N30O10 and a molecular weight of 2097.93 g/mol. Its IUPAC name is 4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate
PubChem CID157445220
Molecular FormulaC105H96Br2N30O10
Molecular Weight2097.93 g/mol
Exact Mass2094.63
IUPAC Name4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)C1.COC(=O)c1cc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)c[nH]1.Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCC(C(=O)O)CC4)nc23)c1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc4ncccc4c3)cnn12.Nc1cc(N2CCC3(CC2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H20BrN5O2.C22H20N8O2.C21H16N6O2.C21H20N6O2.C19H20BrN5O2/c23-18-19(12-3-5-13(6-4-12)22(29)30)27-21-16(11-26-28(21)20(18)24)14-7-8-17-15(10-14)2-1-9-25-17;23-17-10-18(29-7-5-22(6-8-29)20(31)27-21(32)28-22)26-19-15(12-25-30(17)19)14-9-13-3-1-2-4-16(13)24-11-14;1-29-21(28)18-7-14(10-24-18)17-8-19(22)27-20(26-17)15(11-25-27)13-6-12-4-2-3-5-16(12)23-9-13;1-29-21(28)14-6-7-26(12-14)19-9-18(22)27-20(25-19)16(11-24-27)15-8-13-4-2-3-5-17(13)23-10-15;1-10-6-13(8-22-7-10)14-9-23-25-17(21)15(20)16(24-18(14)25)11-2-4-12(5-3-11)19(26)27/h1-2,7-13H,3-6,24H2,(H,29,30);1-4,9-12H,5-8,23H2,(H2,27,28,31,32);2-11,24H,22H2,1H3;2-5,8-11,14H,6-7,12,22H2,1H3;6-9,11-12H,2-5,21H2,1H3,(H,26,27)
InChIKeyBSDHXSGUROVNSA-UHFFFAOYSA-N
XLogP15.99
TPSA553.17 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds14
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002097.93
LogP ≤ 515.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate with MolForge

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Related Compounds

Methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 123169769
2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1S,20R,21R)-22-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;(1S,20R,21R)-6-bromo-20,21-dimethyl-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-2,17-dione;tert-butyl (1S,20R,21R)-6-bromo-20,21-dimethyl-2,17-dioxo-11-oxa-5,18,22-triazatricyclo[18.2.1.04,9]tricosa-4(9),5,7,13-tetraene-22-carboxylate;tert-butyl (3S)-3-[2-[6-bromo-3-(prop-2-enoxymethyl)-2-pyridinyl]acetyl]-5-[(pent-4-enoylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 157211210
CID 157352147
CID 157352147
1-Acetyl-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;2-[1-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxamide;methyl 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoate
CID 157538517
2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[6-bromo-3-(methoxymethyl)-2-pyridinyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-[6-bromo-3-(methoxymethyl)-2-pyridinyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl (1R,3S,5R)-5-(aminomethyl)-3-[2-[6-bromo-3-(methoxymethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[[6-bromo-3-(methoxymethyl)-2-pyridinyl]carbamoyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 157592587
3-[1-(3-bromoquinolin-6-yl)ethyl]-N-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide;1-[3-[1-(3-bromoquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;methyl 3-[1-(3-bromoquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxylate;methyl 6-hydrazinylpyridazine-3-carboxylate;methyl 3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxylate;methyl 6-[2-(2-quinolin-6-ylpropanoyl)hydrazinyl]pyridazine-3-carboxylate;2-quinolin-6-ylpropanoic acid
CID 157746329
(3R,5R)-6-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-12-bromo-17-oxa-6,9,11,20-tetrazapentacyclo[17.2.2.13,7.03,5.010,15]tetracosa-1(21),10(15),11,13,19,22-hexaen-8-one;(3R,5R)-6-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-12-bromo-17-oxa-6,9,11,21-tetrazapentacyclo[17.2.2.13,7.03,5.010,15]tetracosa-1(21),10(15),11,13,19,22-hexaen-8-one;(3R,5R)-6-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-12-bromo-17-oxa-6,9,11-triazapentacyclo[17.2.2.13,7.03,5.010,15]tetracosa-1(21),10(15),11,13,19,22-hexaen-8-one
CID 157914286
CID 157947012
CID 157947012
ethyl 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 157984496
CID 158122505
CID 158122505
(2S,4R)-1-[2-[3-acetyl-6-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrrolidin-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methyl 2-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-6-bromopyridine-3-carboxylate
CID 158249629
5-[7-Amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;6-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid
CID 158333966

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate?
The IUPAC name of 4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate (CID 157445220) is 4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for 4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for 4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)C1.COC(=O)c1cc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)c[nH]1.Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCC(C(=O)O)CC4)nc23)c1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc4ncccc4c3)cnn12.Nc1cc(N2CCC3(CC2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate?
The InChIKey is BSDHXSGUROVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O2.C22H20N8O2.C21H16N6O2.C21H20N6O2.C19H20BrN5O2/c23-18-19(12-3-5-13(6-4-12)22(29)30)27-21-16(11-26-28(21)20(18)24)14-7-8-17-15(10-14)2-1-9-25-17;23-17-10-18(29-7-5-22(6-8-29)20(31)27-21(32)28-22)26-19-15(12-25-30(17)19)14-9-13-3-1-2-4-16(13)24-11-14;1-29-21(28)18-7-14(10-24-18)17-8-19(22)27-20(26-17)15(11-25-27)13-6-12-4-2-3-5-16(12)23-9-13;1-29-21(28)14-6-7-26(12-14)19-9-18(22)27-20(25-19)16(11-24-27)15-8-13-4-2-3-5-17(13)23-10-15;1-10-6-13(8-22-7-10)14-9-23-25-17(21)15(20)16(24-18(14)25)11-2-4-12(5-3-11)19(26)27/h1-2,7-13H,3-6,24H2,(H,29,30);1-4,9-12H,5-8,23H2,(H2,27,28,31,32);2-11,24H,22H2,1H3;2-5,8-11,14H,6-7,12,22H2,1H3;6-9,11-12H,2-5,21H2,1H3,(H,26,27).
What are the key properties of 4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate?
4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate has a molecular weight of 2097.93 g/mol, XLogP of 15.99, 14 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 157445220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).