7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid

C70H58Cl2N24O8 — CID 159847358

IUPAC7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid
SMILESCOC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)O)[nH]c12.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)O)cc4c3)n2)c1.Cn1cnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)O)cc4c3)n2)c1
InChIInChI=1S/C18H15ClN6O2.C18H16N6O2.C17H13ClN6O2.C17H14N6O2/c1-25-8-15(21-9-25)13-3-4-20-18(24-13)22-11-5-10-6-14(17(26)27-2)23-16(10)12(19)7-11;1-10-5-12(6-11-7-14(17(25)26)22-16(10)11)21-18-19-4-3-13(23-18)15-8-24(2)9-20-15;1-24-7-14(20-8-24)12-2-3-19-17(23-12)21-10-4-9-5-13(16(25)26)22-15(9)11(18)6-10;1-23-8-15(19-9-23)13-4-5-18-17(22-13)20-11-2-3-12-10(6-11)7-14(21-12)16(24)25/h3-9,23H,1-2H3,(H,20,22,24);3-9,22H,1-2H3,(H,25,26)(H,19,21,23);2-8,22H,1H3,(H,25,26)(H,19,21,23);2-9,21H,1H3,(H,24,25)(H,18,20,22)
InChIKeyNPMCMOZLJXOLSN-UHFFFAOYSA-N
MW1434.30 g/mol
LogP12.90
Rot. Bonds16

About 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid

7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid (PubChem CID 159847358) has the molecular formula C70H58Cl2N24O8 and a molecular weight of 1434.30 g/mol. Its IUPAC name is 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid
PubChem CID159847358
Molecular FormulaC70H58Cl2N24O8
Molecular Weight1434.30 g/mol
Exact Mass1432.42
IUPAC Name7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid
SMILESCOC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)O)[nH]c12.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)O)cc4c3)n2)c1.Cn1cnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)O)cc4c3)n2)c1
InChIInChI=1S/C18H15ClN6O2.C18H16N6O2.C17H13ClN6O2.C17H14N6O2/c1-25-8-15(21-9-25)13-3-4-20-18(24-13)22-11-5-10-6-14(17(26)27-2)23-16(10)12(19)7-11;1-10-5-12(6-11-7-14(17(25)26)22-16(10)11)21-18-19-4-3-13(23-18)15-8-24(2)9-20-15;1-24-7-14(20-8-24)12-2-3-19-17(23-12)21-10-4-9-5-13(16(25)26)22-15(9)11(18)6-10;1-23-8-15(19-9-23)13-4-5-18-17(22-13)20-11-2-3-12-10(6-11)7-14(21-12)16(24)25/h3-9,23H,1-2H3,(H,20,22,24);3-9,22H,1-2H3,(H,25,26)(H,19,21,23);2-8,22H,1H3,(H,25,26)(H,19,21,23);2-9,21H,1H3,(H,24,25)(H,18,20,22)
InChIKeyNPMCMOZLJXOLSN-UHFFFAOYSA-N
XLogP12.90
TPSA423.88 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001434.30
LogP ≤ 512.90
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid?
The IUPAC name of 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid (CID 159847358) is 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid is COC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)O)[nH]c12.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)O)cc4c3)n2)c1.Cn1cnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)O)cc4c3)n2)c1.
What is the InChIKey of 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid?
The InChIKey is NPMCMOZLJXOLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2.C18H16N6O2.C17H13ClN6O2.C17H14N6O2/c1-25-8-15(21-9-25)13-3-4-20-18(24-13)22-11-5-10-6-14(17(26)27-2)23-16(10)12(19)7-11;1-10-5-12(6-11-7-14(17(25)26)22-16(10)11)21-18-19-4-3-13(23-18)15-8-24(2)9-20-15;1-24-7-14(20-8-24)12-2-3-19-17(23-12)21-10-4-9-5-13(16(25)26)22-15(9)11(18)6-10;1-23-8-15(19-9-23)13-4-5-18-17(22-13)20-11-2-3-12-10(6-11)7-14(21-12)16(24)25/h3-9,23H,1-2H3,(H,20,22,24);3-9,22H,1-2H3,(H,25,26)(H,19,21,23);2-8,22H,1H3,(H,25,26)(H,19,21,23);2-9,21H,1H3,(H,24,25)(H,18,20,22).
What are the key properties of 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid?
7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid has a molecular weight of 1434.30 g/mol, XLogP of 12.90, 16 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;methyl 7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate;5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 159847358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).