4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde

C90H83Cl2FN22O8 — CID 157357302

IUPAC4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde
SMILESC=O.Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.Nc1nccn2c(-c3ccc(C(=O)O)cc3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1nccn2c(C3CCC(CO)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccccc5F)c4[nH]3)c12
InChIInChI=1S/C26H23FN6O2.C21H14ClN5O2.C21H22ClN5O.C21H22N6O2.CH2O/c27-19-7-2-1-5-17(19)18-6-3-4-16-12-20(31-21(16)18)22-23-24(28)29-13-30-33(23)25(32-22)14-8-10-15(11-9-14)26(34)35;22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29;22-15-3-1-2-14-10-16(25-17(14)15)18-19-20(23)24-8-9-27(19)21(26-18)13-6-4-12(11-28)5-7-13;1-11-3-2-4-14-9-15(25-16(11)14)17-18-19(22)23-10-24-27(18)20(26-17)12-5-7-13(8-6-12)21(28)29;1-2/h1-7,12-15,31H,8-11H2,(H,34,35)(H2,28,29,30);1-10,25H,(H2,23,24)(H,28,29);1-3,8-10,12-13,25,28H,4-7,11H2,(H2,23,24);2-4,9-10,12-13,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24);1H2
InChIKeyBIFVYVUVIJJHTC-UHFFFAOYSA-N
MW1690.70 g/mol
LogP17.21
Rot. Bonds13

About 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde

4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde (PubChem CID 157357302) has the molecular formula C90H83Cl2FN22O8 and a molecular weight of 1690.70 g/mol. Its IUPAC name is 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde.

Molecular Properties

Compound Name4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde
PubChem CID157357302
Molecular FormulaC90H83Cl2FN22O8
Molecular Weight1690.70 g/mol
Exact Mass1688.61
IUPAC Name4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde
SMILESC=O.Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.Nc1nccn2c(-c3ccc(C(=O)O)cc3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1nccn2c(C3CCC(CO)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccccc5F)c4[nH]3)c12
InChIInChI=1S/C26H23FN6O2.C21H14ClN5O2.C21H22ClN5O.C21H22N6O2.CH2O/c27-19-7-2-1-5-17(19)18-6-3-4-16-12-20(31-21(16)18)22-23-24(28)29-13-30-33(23)25(32-22)14-8-10-15(11-9-14)26(34)35;22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29;22-15-3-1-2-14-10-16(25-17(14)15)18-19-20(23)24-8-9-27(19)21(26-18)13-6-4-12(11-28)5-7-13;1-11-3-2-4-14-9-15(25-16(11)14)17-18-19(22)23-10-24-27(18)20(26-17)12-5-7-13(8-6-12)21(28)29;1-2/h1-7,12-15,31H,8-11H2,(H,34,35)(H2,28,29,30);1-10,25H,(H2,23,24)(H,28,29);1-3,8-10,12-13,25,28H,4-7,11H2,(H2,23,24);2-4,9-10,12-13,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24);1H2
InChIKeyBIFVYVUVIJJHTC-UHFFFAOYSA-N
XLogP17.21
TPSA462.98 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms123
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001690.70
LogP ≤ 517.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Analyze 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde?
The IUPAC name of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde (CID 157357302) is 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde.
What is the SMILES notation for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde?
The canonical SMILES for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde is C=O.Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.Nc1nccn2c(-c3ccc(C(=O)O)cc3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1nccn2c(C3CCC(CO)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccccc5F)c4[nH]3)c12.
What is the InChIKey of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde?
The InChIKey is BIFVYVUVIJJHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2.C21H14ClN5O2.C21H22ClN5O.C21H22N6O2.CH2O/c27-19-7-2-1-5-17(19)18-6-3-4-16-12-20(31-21(16)18)22-23-24(28)29-13-30-33(23)25(32-22)14-8-10-15(11-9-14)26(34)35;22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29;22-15-3-1-2-14-10-16(25-17(14)15)18-19-20(23)24-8-9-27(19)21(26-18)13-6-4-12(11-28)5-7-13;1-11-3-2-4-14-9-15(25-16(11)14)17-18-19(22)23-10-24-27(18)20(26-17)12-5-7-13(8-6-12)21(28)29;1-2/h1-7,12-15,31H,8-11H2,(H,34,35)(H2,28,29,30);1-10,25H,(H2,23,24)(H,28,29);1-3,8-10,12-13,25,28H,4-7,11H2,(H2,23,24);2-4,9-10,12-13,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24);1H2.
What are the key properties of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde?
4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde has a molecular weight of 1690.70 g/mol, XLogP of 17.21, 13 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde is sourced from PubChem (CID 157357302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).