2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone

C98H89F7N28O6 — CID 159557491

IUPAC2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cn4)cc3-c3ccc(F)cc3)CC2)ncn1.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cn4)cc3-c3ccccc3)CC2)ncn1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2cccnn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H23F2N7O2.C25H24FN7O2.2C24H21F2N7O/c1-36-24-13-23(29-16-30-24)32-8-10-33(11-9-32)25(35)15-34-22(17-2-4-18(26)5-3-17)12-21(31-34)20-7-6-19(27)14-28-20;1-35-24-14-23(28-17-29-24)31-9-11-32(12-10-31)25(34)16-33-22(18-5-3-2-4-6-18)13-21(30-33)20-8-7-19(26)15-27-20;25-18-4-2-17(3-5-18)22-14-21(20-7-6-19(26)15-29-20)30-33(22)16-23(34)31-10-12-32(13-11-31)24-27-8-1-9-28-24;25-18-5-3-17(4-6-18)22-14-21(20-8-7-19(26)15-27-20)30-33(22)16-24(34)32-12-10-31(11-13-32)23-2-1-9-28-29-23/h2-7,12-14,16H,8-11,15H2,1H3;2-8,13-15,17H,9-12,16H2,1H3;2*1-9,14-15H,10-13,16H2
InChIKeyMGEGZJREJIWSPL-UHFFFAOYSA-N
MW1887.97 g/mol
LogP11.99
Rot. Bonds22

About 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone

2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 159557491) has the molecular formula C98H89F7N28O6 and a molecular weight of 1887.97 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID159557491
Molecular FormulaC98H89F7N28O6
Molecular Weight1887.97 g/mol
Exact Mass1886.74
IUPAC Name2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cn4)cc3-c3ccc(F)cc3)CC2)ncn1.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cn4)cc3-c3ccccc3)CC2)ncn1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2cccnn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H23F2N7O2.C25H24FN7O2.2C24H21F2N7O/c1-36-24-13-23(29-16-30-24)32-8-10-33(11-9-32)25(35)15-34-22(17-2-4-18(26)5-3-17)12-21(31-34)20-7-6-19(27)14-28-20;1-35-24-14-23(28-17-29-24)31-9-11-32(12-10-31)25(34)16-33-22(18-5-3-2-4-6-18)13-21(30-33)20-8-7-19(26)15-27-20;25-18-4-2-17(3-5-18)22-14-21(20-7-6-19(26)15-29-20)30-33(22)16-23(34)31-10-12-32(13-11-31)24-27-8-1-9-28-24;25-18-5-3-17(4-6-18)22-14-21(20-8-7-19(26)15-27-20)30-33(22)16-24(34)32-12-10-31(11-13-32)23-2-1-9-28-29-23/h2-7,12-14,16H,8-11,15H2,1H3;2-8,13-15,17H,9-12,16H2,1H3;2*1-9,14-15H,10-13,16H2
InChIKeyMGEGZJREJIWSPL-UHFFFAOYSA-N
XLogP11.99
TPSA338.62 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001887.97
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[3,5-Bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 71572183
2-[3,5-Bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 71572299
2-[3-(5-Fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 71573108
2-[5-(4-Fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 71573110
2-[3-(5-Fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 89593032
2-[3-(5-Fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 89593034
2-[5-(4-Fluorophenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 89693444
2-[5-(4-Fluorophenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 89693445
2-(3,5-Diphenylpyrazol-1-yl)-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 158156416
2-[4-[2-[3,5-Bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]piperazin-1-yl]pyridine-4-carbonitrile;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone;2-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 158434905
2-[3,5-Bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[2-(dimethylamino)-4-pyridinyl]piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 159197649
1-[4-[2-[(2,3-Difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 159760723

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone (CID 159557491) is 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone is COc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cn4)cc3-c3ccc(F)cc3)CC2)ncn1.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cn4)cc3-c3ccccc3)CC2)ncn1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2cccnn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is MGEGZJREJIWSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O2.C25H24FN7O2.2C24H21F2N7O/c1-36-24-13-23(29-16-30-24)32-8-10-33(11-9-32)25(35)15-34-22(17-2-4-18(26)5-3-17)12-21(31-34)20-7-6-19(27)14-28-20;1-35-24-14-23(28-17-29-24)31-9-11-32(12-10-31)25(34)16-33-22(18-5-3-2-4-6-18)13-21(30-33)20-8-7-19(26)15-27-20;25-18-4-2-17(3-5-18)22-14-21(20-7-6-19(26)15-29-20)30-33(22)16-23(34)31-10-12-32(13-11-31)24-27-8-1-9-28-24;25-18-5-3-17(4-6-18)22-14-21(20-8-7-19(26)15-27-20)30-33(22)16-24(34)32-12-10-31(11-13-32)23-2-1-9-28-29-23/h2-7,12-14,16H,8-11,15H2,1H3;2-8,13-15,17H,9-12,16H2,1H3;2*1-9,14-15H,10-13,16H2.
What are the key properties of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 1887.97 g/mol, XLogP of 11.99, 22 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 159557491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).