tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine

C125H97N31O19S7 — CID 159951440

IUPACtert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine
SMILESCC(C)(C)OC(=O)N1CC=C(c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)CC1.CS(=O)(=O)Cc1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)cc1.Cc1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)cc1.O=S(=O)(c1cnc2ccccn12)n1ncc2ncc(-c3ccc4c(c3)OCCO4)cc21.O=S(=O)(c1cnc2ccccn12)n1ncc2ncc(-c3ccc4ccccc4c3)cc21.O=S(=O)(c1cnc2ccccn12)n1ncc2ncc(-c3ccoc3)cc21
InChIInChI=1S/C23H24N6O4S.C23H15N5O2S.C21H17N5O4S2.C21H15N5O4S.C20H15N5O2S.C17H11N5O3S/c1-23(2,3)33-22(30)27-10-7-16(8-11-27)17-12-19-18(24-13-17)14-26-29(19)34(31,32)21-15-25-20-6-4-5-9-28(20)21;29-31(30,23-15-25-22-7-3-4-10-27(22)23)28-21-12-19(13-24-20(21)14-26-28)18-9-8-16-5-1-2-6-17(16)11-18;1-31(27,28)14-15-5-7-16(8-6-15)17-10-19-18(22-11-17)12-24-26(19)32(29,30)21-13-23-20-4-2-3-9-25(20)21;27-31(28,21-13-23-20-3-1-2-6-25(20)21)26-17-9-15(11-22-16(17)12-24-26)14-4-5-18-19(10-14)30-8-7-29-18;1-14-5-7-15(8-6-14)16-10-18-17(21-11-16)12-23-25(18)28(26,27)20-13-22-19-4-2-3-9-24(19)20;23-26(24,17-10-19-16-3-1-2-5-21(16)17)22-15-7-13(12-4-6-25-11-12)8-18-14(15)9-20-22/h4-7,9,12-15H,8,10-11H2,1-3H3;1-15H;2-13H,14H2,1H3;1-6,9-13H,7-8H2;2-13H,1H3;1-11H
InChIKeyOCDXMZZUKXIRGX-UHFFFAOYSA-N
MW2561.82 g/mol
LogP18.63
Rot. Bonds20

About tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine

tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine (PubChem CID 159951440) has the molecular formula C125H97N31O19S7 and a molecular weight of 2561.82 g/mol. Its IUPAC name is tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Nametert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine
PubChem CID159951440
Molecular FormulaC125H97N31O19S7
Molecular Weight2561.82 g/mol
Exact Mass2559.56
IUPAC Nametert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine
SMILESCC(C)(C)OC(=O)N1CC=C(c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)CC1.CS(=O)(=O)Cc1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)cc1.Cc1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)cc1.O=S(=O)(c1cnc2ccccn12)n1ncc2ncc(-c3ccc4c(c3)OCCO4)cc21.O=S(=O)(c1cnc2ccccn12)n1ncc2ncc(-c3ccc4ccccc4c3)cc21.O=S(=O)(c1cnc2ccccn12)n1ncc2ncc(-c3ccoc3)cc21
InChIInChI=1S/C23H24N6O4S.C23H15N5O2S.C21H17N5O4S2.C21H15N5O4S.C20H15N5O2S.C17H11N5O3S/c1-23(2,3)33-22(30)27-10-7-16(8-11-27)17-12-19-18(24-13-17)14-26-29(19)34(31,32)21-15-25-20-6-4-5-9-28(20)21;29-31(30,23-15-25-22-7-3-4-10-27(22)23)28-21-12-19(13-24-20(21)14-26-28)18-9-8-16-5-1-2-6-17(16)11-18;1-31(27,28)14-15-5-7-16(8-6-15)17-10-19-18(22-11-17)12-24-26(19)32(29,30)21-13-23-20-4-2-3-9-25(20)21;27-31(28,21-13-23-20-3-1-2-6-25(20)21)26-17-9-15(11-22-16(17)12-24-26)14-4-5-18-19(10-14)30-8-7-29-18;1-14-5-7-15(8-6-14)16-10-18-17(21-11-16)12-23-25(18)28(26,27)20-13-22-19-4-2-3-9-24(19)20;23-26(24,17-10-19-16-3-1-2-5-21(16)17)22-15-7-13(12-4-6-25-11-12)8-18-14(15)9-20-22/h4-7,9,12-15H,8,10-11H2,1-3H3;1-15H;2-13H,14H2,1H3;1-6,9-13H,7-8H2;2-13H,1H3;1-11H
InChIKeyOCDXMZZUKXIRGX-UHFFFAOYSA-N
XLogP18.63
TPSA588.18 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds20
Heavy Atoms182
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002561.82
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine?
The IUPAC name of tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine (CID 159951440) is tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine?
The canonical SMILES for tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine is CC(C)(C)OC(=O)N1CC=C(c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)CC1.CS(=O)(=O)Cc1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)cc1.Cc1ccc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)cc1.O=S(=O)(c1cnc2ccccn12)n1ncc2ncc(-c3ccc4c(c3)OCCO4)cc21.O=S(=O)(c1cnc2ccccn12)n1ncc2ncc(-c3ccc4ccccc4c3)cc21.O=S(=O)(c1cnc2ccccn12)n1ncc2ncc(-c3ccoc3)cc21.
What is the InChIKey of tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine?
The InChIKey is OCDXMZZUKXIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S.C23H15N5O2S.C21H17N5O4S2.C21H15N5O4S.C20H15N5O2S.C17H11N5O3S/c1-23(2,3)33-22(30)27-10-7-16(8-11-27)17-12-19-18(24-13-17)14-26-29(19)34(31,32)21-15-25-20-6-4-5-9-28(20)21;29-31(30,23-15-25-22-7-3-4-10-27(22)23)28-21-12-19(13-24-20(21)14-26-28)18-9-8-16-5-1-2-6-17(16)11-18;1-31(27,28)14-15-5-7-16(8-6-15)17-10-19-18(22-11-17)12-24-26(19)32(29,30)21-13-23-20-4-2-3-9-25(20)21;27-31(28,21-13-23-20-3-1-2-6-25(20)21)26-17-9-15(11-22-16(17)12-24-26)14-4-5-18-19(10-14)30-8-7-29-18;1-14-5-7-15(8-6-14)16-10-18-17(21-11-16)12-23-25(18)28(26,27)20-13-22-19-4-2-3-9-24(19)20;23-26(24,17-10-19-16-3-1-2-5-21(16)17)22-15-7-13(12-4-6-25-11-12)8-18-14(15)9-20-22/h4-7,9,12-15H,8,10-11H2,1-3H3;1-15H;2-13H,14H2,1H3;1-6,9-13H,7-8H2;2-13H,1H3;1-11H.
What are the key properties of tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine?
tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine has a molecular weight of 2561.82 g/mol, XLogP of 18.63, 20 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;6-(furan-3-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-(4-methylphenyl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-[4-(methylsulfonylmethyl)phenyl]pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-naphthalen-2-ylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 159951440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).