tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid

C104H107Cl3F7N33O5 — CID 162021896

IUPACtert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C(N)=O.Cc1cc(-c2cnc3ccc(Cl)cn23)nc(N2C[C@@H](C)C[C@@H](c3cn[nH]c3)C2)n1.Cc1cc(-c2cnc3ccc(Cl)cn23)nc(N2C[C@H](C)C[C@@H](c3cn[nH]c3C)C2)n1.Cc1cc(-c2cnc3ccc(Cl)cn23)nc(N2C[C@H](C)C[C@H](c3cn[nH]c3)C2)n1.O=C(O)C1CC(F)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C22H24ClN7.C22H24F3N7O3.2C21H22ClN7.C18H15F4N5O2/c1-13-6-16(18-8-25-28-15(18)3)11-29(10-13)22-26-14(2)7-19(27-22)20-9-24-21-5-4-17(23)12-30(20)21;1-21(2,3)35-20(34)31-9-8-30(12-15(31)18(26)33)17-6-7-27-19(29-17)14-10-28-16-5-4-13(11-32(14)16)22(23,24)25;2*1-13-5-15(16-7-24-25-8-16)11-28(10-13)21-26-14(2)6-18(27-21)19-9-23-20-4-3-17(22)12-29(19)20;19-12-5-10(17(28)29)7-26(9-12)15-3-4-23-16(25-15)13-6-24-14-2-1-11(8-27(13)14)18(20,21)22/h4-5,7-9,12-13,16H,6,10-11H2,1-3H3,(H,25,28);4-7,10-11,15H,8-9,12H2,1-3H3,(H2,26,33);2*3-4,6-9,12-13,15H,5,10-11H2,1-2H3,(H,24,25);1-4,6,8,10,12H,5,7,9H2,(H,28,29)/t13-,16-;;2*13-,15+;/m1.10./s1
InChIKeyYUVWGONAXPINEI-MDDGJTCTSA-N
MW2138.57 g/mol
LogP18.41
Rot. Bonds15

About tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid

tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 162021896) has the molecular formula C104H107Cl3F7N33O5 and a molecular weight of 2138.57 g/mol. Its IUPAC name is tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID162021896
Molecular FormulaC104H107Cl3F7N33O5
Molecular Weight2138.57 g/mol
Exact Mass2135.81
IUPAC Nametert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C(N)=O.Cc1cc(-c2cnc3ccc(Cl)cn23)nc(N2C[C@@H](C)C[C@@H](c3cn[nH]c3)C2)n1.Cc1cc(-c2cnc3ccc(Cl)cn23)nc(N2C[C@H](C)C[C@@H](c3cn[nH]c3C)C2)n1.Cc1cc(-c2cnc3ccc(Cl)cn23)nc(N2C[C@H](C)C[C@H](c3cn[nH]c3)C2)n1.O=C(O)C1CC(F)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C22H24ClN7.C22H24F3N7O3.2C21H22ClN7.C18H15F4N5O2/c1-13-6-16(18-8-25-28-15(18)3)11-29(10-13)22-26-14(2)7-19(27-22)20-9-24-21-5-4-17(23)12-30(20)21;1-21(2,3)35-20(34)31-9-8-30(12-15(31)18(26)33)17-6-7-27-19(29-17)14-10-28-16-5-4-13(11-32(14)16)22(23,24)25;2*1-13-5-15(16-7-24-25-8-16)11-28(10-13)21-26-14(2)6-18(27-21)19-9-23-20-4-3-17(22)12-29(19)20;19-12-5-10(17(28)29)7-26(9-12)15-3-4-23-16(25-15)13-6-24-14-2-1-11(8-27(13)14)18(20,21)22/h4-5,7-9,12-13,16H,6,10-11H2,1-3H3,(H,25,28);4-7,10-11,15H,8-9,12H2,1-3H3,(H2,26,33);2*3-4,6-9,12-13,15H,5,10-11H2,1-2H3,(H,24,25);1-4,6,8,10,12H,5,7,9H2,(H,28,29)/t13-,16-;;2*13-,15+;/m1.10./s1
InChIKeyYUVWGONAXPINEI-MDDGJTCTSA-N
XLogP18.41
TPSA427.57 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds15
Heavy Atoms152
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002138.57
LogP ≤ 518.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid (CID 162021896) is tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C(N)=O.Cc1cc(-c2cnc3ccc(Cl)cn23)nc(N2C[C@@H](C)C[C@@H](c3cn[nH]c3)C2)n1.Cc1cc(-c2cnc3ccc(Cl)cn23)nc(N2C[C@H](C)C[C@@H](c3cn[nH]c3C)C2)n1.Cc1cc(-c2cnc3ccc(Cl)cn23)nc(N2C[C@H](C)C[C@H](c3cn[nH]c3)C2)n1.O=C(O)C1CC(F)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is YUVWGONAXPINEI-MDDGJTCTSA-N. The full InChI is InChI=1S/C22H24ClN7.C22H24F3N7O3.2C21H22ClN7.C18H15F4N5O2/c1-13-6-16(18-8-25-28-15(18)3)11-29(10-13)22-26-14(2)7-19(27-22)20-9-24-21-5-4-17(23)12-30(20)21;1-21(2,3)35-20(34)31-9-8-30(12-15(31)18(26)33)17-6-7-27-19(29-17)14-10-28-16-5-4-13(11-32(14)16)22(23,24)25;2*1-13-5-15(16-7-24-25-8-16)11-28(10-13)21-26-14(2)6-18(27-21)19-9-23-20-4-3-17(22)12-29(19)20;19-12-5-10(17(28)29)7-26(9-12)15-3-4-23-16(25-15)13-6-24-14-2-1-11(8-27(13)14)18(20,21)22/h4-5,7-9,12-13,16H,6,10-11H2,1-3H3,(H,25,28);4-7,10-11,15H,8-9,12H2,1-3H3,(H2,26,33);2*3-4,6-9,12-13,15H,5,10-11H2,1-2H3,(H,24,25);1-4,6,8,10,12H,5,7,9H2,(H,28,29)/t13-,16-;;2*13-,15+;/m1.10./s1.
What are the key properties of tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid?
tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 2138.57 g/mol, XLogP of 18.41, 15 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 162021896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).