4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate

C126H126BrN23O12Si4 — CID 158656378

IUPAC4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)cc1.[C-]#[N+]c1c(-c2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.[C-]#[N+]c1c(-c2ccc(C(=O)OC)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.[C-]#[N+]c1c(-c2ccc(C(=O)OC)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C
InChIInChI=1S/C38H46N6O4Si2.C37H46BrN5O4Si2.C26H18N6O2.C25H16N6O2/c1-39-35-34(29-14-16-30(17-15-29)38(45)46-2)42-36-32(31-18-19-33(40-24-31)28-12-10-9-11-13-28)25-41-44(36)37(35)43(26-47-20-22-49(3,4)5)27-48-21-23-50(6,7)8;1-45-37(44)29-15-13-28(14-16-29)34-33(38)36(42(25-46-19-21-48(2,3)4)26-47-20-22-49(5,6)7)43-35(41-34)31(24-40-43)30-17-18-32(39-23-30)27-11-9-8-10-12-27;1-28-23-22(17-8-10-18(11-9-17)26(33)34-2)31-25-20(15-30-32(25)24(23)27)19-12-13-21(29-14-19)16-6-4-3-5-7-16;1-27-22-21(16-7-9-17(10-8-16)25(32)33)30-24-19(14-29-31(24)23(22)26)18-11-12-20(28-13-18)15-5-3-2-4-6-15/h9-19,24-25H,20-23,26-27H2,2-8H3;8-18,23-24H,19-22,25-26H2,1-7H3;3-15H,27H2,2H3;2-14H,26H2,(H,32,33)
InChIKeyICEPCHSYMPZXQP-UHFFFAOYSA-N
MW2346.79 g/mol
LogP28.00
Rot. Bonds38

About 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate

4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate (PubChem CID 158656378) has the molecular formula C126H126BrN23O12Si4 and a molecular weight of 2346.79 g/mol. Its IUPAC name is 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate.

Molecular Properties

Compound Name4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
PubChem CID158656378
Molecular FormulaC126H126BrN23O12Si4
Molecular Weight2346.79 g/mol
Exact Mass2343.82
IUPAC Name4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)cc1.[C-]#[N+]c1c(-c2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.[C-]#[N+]c1c(-c2ccc(C(=O)OC)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.[C-]#[N+]c1c(-c2ccc(C(=O)OC)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C
InChIInChI=1S/C38H46N6O4Si2.C37H46BrN5O4Si2.C26H18N6O2.C25H16N6O2/c1-39-35-34(29-14-16-30(17-15-29)38(45)46-2)42-36-32(31-18-19-33(40-24-31)28-12-10-9-11-13-28)25-41-44(36)37(35)43(26-47-20-22-49(3,4)5)27-48-21-23-50(6,7)8;1-45-37(44)29-15-13-28(14-16-29)34-33(38)36(42(25-46-19-21-48(2,3)4)26-47-20-22-49(5,6)7)43-35(41-34)31(24-40-43)30-17-18-32(39-23-30)27-11-9-8-10-12-27;1-28-23-22(17-8-10-18(11-9-17)26(33)34-2)31-25-20(15-30-32(25)24(23)27)19-12-13-21(29-14-19)16-6-4-3-5-7-16;1-27-22-21(16-7-9-17(10-8-16)25(32)33)30-24-19(14-29-31(24)23(22)26)18-11-12-20(28-13-18)15-5-3-2-4-6-15/h9-19,24-25H,20-23,26-27H2,2-8H3;8-18,23-24H,19-22,25-26H2,1-7H3;3-15H,27H2,2H3;2-14H,26H2,(H,32,33)
InChIKeyICEPCHSYMPZXQP-UHFFFAOYSA-N
XLogP28.00
TPSA397.04 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002346.79
LogP ≤ 528.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate with MolForge

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Related Compounds

bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
CID 159960290
Methyl 4-(7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-6-bromo-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)benzoate
CID 67494459
Methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
CID 88579556
(1-Bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate
CID 157107320
methyl 2-methyl-3-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate;2-methyl-3-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoic acid
CID 157485400
Ethyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;methane;tributyl(1-ethoxyethenyl)stannane
CID 157559401
3-bromo-5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridine;5-bromo-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridine;5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridine;3-[5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;methyl 3-[5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-3-yl]benzoate
CID 157560848
lithium;2-aminoethanol;3-bromoimidazo[1,2-b]pyridazine;3-ethynylimidazo[1,2-b]pyridazine;ethynyl(trimethyl)silane;N-(2-hydroxyethyl)-3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzamide;3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzoic acid;methyl 3-(2-imidazo[1,2-b]pyridazin-3-ylethyl)-4-methylbenzoate;methyl 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoate;methyl 3-iodo-4-methylbenzoate;tribromophosphane;hydroxide
CID 157666544
Methyl 4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoate;methyl 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoate;6-(2-methylpyrrolidin-1-yl)pyridin-2-amine
CID 157767259
potassium;3-(6-amino-3-pyridinyl)-5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-6-(1-ethoxyethenyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylate;methyl 5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylate;methyl 5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylate;methyl 5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxylate
CID 157962742
2-[4-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-oxoacetic acid;ethyl 2-acetyloxy-2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexylidene]acetate;ethyl 2-acetyloxy-2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexylidene]acetate
CID 158000111
[1-(6-Amino-2-pyridinyl)pyrrolidin-2-yl]methanol;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate
CID 158052722

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate?
The IUPAC name of 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate (CID 158656378) is 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate.
What is the SMILES notation for 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate?
The canonical SMILES for 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate is COC(=O)c1ccc(-c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)cc1.[C-]#[N+]c1c(-c2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.[C-]#[N+]c1c(-c2ccc(C(=O)OC)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.[C-]#[N+]c1c(-c2ccc(C(=O)OC)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.
What is the InChIKey of 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate?
The InChIKey is ICEPCHSYMPZXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N6O4Si2.C37H46BrN5O4Si2.C26H18N6O2.C25H16N6O2/c1-39-35-34(29-14-16-30(17-15-29)38(45)46-2)42-36-32(31-18-19-33(40-24-31)28-12-10-9-11-13-28)25-41-44(36)37(35)43(26-47-20-22-49(3,4)5)27-48-21-23-50(6,7)8;1-45-37(44)29-15-13-28(14-16-29)34-33(38)36(42(25-46-19-21-48(2,3)4)26-47-20-22-49(5,6)7)43-35(41-34)31(24-40-43)30-17-18-32(39-23-30)27-11-9-8-10-12-27;1-28-23-22(17-8-10-18(11-9-17)26(33)34-2)31-25-20(15-30-32(25)24(23)27)19-12-13-21(29-14-19)16-6-4-3-5-7-16;1-27-22-21(16-7-9-17(10-8-16)25(32)33)30-24-19(14-29-31(24)23(22)26)18-11-12-20(28-13-18)15-5-3-2-4-6-15/h9-19,24-25H,20-23,26-27H2,2-8H3;8-18,23-24H,19-22,25-26H2,1-7H3;3-15H,27H2,2H3;2-14H,26H2,(H,32,33).
What are the key properties of 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate?
4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate has a molecular weight of 2346.79 g/mol, XLogP of 28.00, 38 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;methyl 4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate;methyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate is sourced from PubChem (CID 158656378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).