5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C105H85ClN30O5 — CID 157194848

IUPAC5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(-c2cnn3c(N)cc(-c4cnc5ccccc5c4)nc23)ccc1O.Nc1cc(-c2cnc3ccccc3c2)nc2c(-c3cc[nH]c3)cnn12.Nc1cc(-c2cnc3ccccc3c2)nc2c(-c3ccc4[nH]ncc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4cc(Cl)ccc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4ccccc34)cnn12
InChIInChI=1S/C22H15N7.C22H17N5O.C21H19ClN6O2.C21H20N6O2.C19H14N6/c23-21-9-20(15-8-14-3-1-2-4-18(14)24-10-15)27-22-17(12-26-29(21)22)13-5-6-19-16(7-13)11-25-28-19;1-13-8-14(6-7-20(13)28)17-12-25-27-21(23)10-19(26-22(17)27)16-9-15-4-2-3-5-18(15)24-11-16;22-12-2-3-14-13(5-6-24-18(14)7-12)15-10-26-28-19(23)8-17(27-20(15)28)11-1-4-16(21(29)30)25-9-11;22-19-9-18(12-5-6-17(21(28)29)24-10-12)26-20-15(11-25-27(19)20)13-7-8-23-16-4-2-1-3-14(13)16;20-18-8-17(14-7-12-3-1-2-4-16(12)22-10-14)24-19-15(11-23-25(18)19)13-5-6-21-9-13/h1-12H,23H2,(H,25,28);2-12,28H,23H2,1H3;2-3,5-8,10-11,16,25H,1,4,9,23H2,(H,29,30);1-4,7-9,11-12,17,24H,5-6,10,22H2,(H,28,29);1-11,21H,20H2
InChIKeyAQCXDISPVAQFLN-UHFFFAOYSA-N
MW1882.49 g/mol
LogP17.35
Rot. Bonds12

About 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157194848) has the molecular formula C105H85ClN30O5 and a molecular weight of 1882.49 g/mol. Its IUPAC name is 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID157194848
Molecular FormulaC105H85ClN30O5
Molecular Weight1882.49 g/mol
Exact Mass1880.70
IUPAC Name5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(-c2cnn3c(N)cc(-c4cnc5ccccc5c4)nc23)ccc1O.Nc1cc(-c2cnc3ccccc3c2)nc2c(-c3cc[nH]c3)cnn12.Nc1cc(-c2cnc3ccccc3c2)nc2c(-c3ccc4[nH]ncc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4cc(Cl)ccc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4ccccc34)cnn12
InChIInChI=1S/C22H15N7.C22H17N5O.C21H19ClN6O2.C21H20N6O2.C19H14N6/c23-21-9-20(15-8-14-3-1-2-4-18(14)24-10-15)27-22-17(12-26-29(21)22)13-5-6-19-16(7-13)11-25-28-19;1-13-8-14(6-7-20(13)28)17-12-25-27-21(23)10-19(26-22(17)27)16-9-15-4-2-3-5-18(15)24-11-16;22-12-2-3-14-13(5-6-24-18(14)7-12)15-10-26-28-19(23)8-17(27-20(15)28)11-1-4-16(21(29)30)25-9-11;22-19-9-18(12-5-6-17(21(28)29)24-10-12)26-20-15(11-25-27(19)20)13-7-8-23-16-4-2-1-3-14(13)16;20-18-8-17(14-7-12-3-1-2-4-16(12)22-10-14)24-19-15(11-23-25(18)19)13-5-6-21-9-13/h1-12H,23H2,(H,25,28);2-12,28H,23H2,1H3;2-3,5-8,10-11,16,25H,1,4,9,23H2,(H,29,30);1-4,7-9,11-12,17,24H,5-6,10,22H2,(H,28,29);1-11,21H,20H2
InChIKeyAQCXDISPVAQFLN-UHFFFAOYSA-N
XLogP17.35
TPSA508.86 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds12
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001882.49
LogP ≤ 517.35
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-indol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157345023
5-[7-Amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157377865
5-[7-amino-3-(1H-indazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(3,4-dimethoxyphenyl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158413334
4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane
CID 158473686
5-[7-Amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
CID 159108652
5-[7-Amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
CID 159318114
5-[7-amino-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-hydroxy-3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
CID 161270767
3-[[2-(2-hydroxy-5-methylphenyl)quinazolin-4-yl]amino]pyrrolidine-3-carboxylic acid;4-methyl-2-[4-[[(4R)-4-phenylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[7-(1-methyl-4H-pyrazol-1-ium-4-yl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol;2-[7-(1H-pyrazol-4-yl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 162006726

Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 157194848) is 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(-c2cnn3c(N)cc(-c4cnc5ccccc5c4)nc23)ccc1O.Nc1cc(-c2cnc3ccccc3c2)nc2c(-c3cc[nH]c3)cnn12.Nc1cc(-c2cnc3ccccc3c2)nc2c(-c3ccc4[nH]ncc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4cc(Cl)ccc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4ccccc34)cnn12.
What is the InChIKey of 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AQCXDISPVAQFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7.C22H17N5O.C21H19ClN6O2.C21H20N6O2.C19H14N6/c23-21-9-20(15-8-14-3-1-2-4-18(14)24-10-15)27-22-17(12-26-29(21)22)13-5-6-19-16(7-13)11-25-28-19;1-13-8-14(6-7-20(13)28)17-12-25-27-21(23)10-19(26-22(17)27)16-9-15-4-2-3-5-18(15)24-11-16;22-12-2-3-14-13(5-6-24-18(14)7-12)15-10-26-28-19(23)8-17(27-20(15)28)11-1-4-16(21(29)30)25-9-11;22-19-9-18(12-5-6-17(21(28)29)24-10-12)26-20-15(11-25-27(19)20)13-7-8-23-16-4-2-1-3-14(13)16;20-18-8-17(14-7-12-3-1-2-4-16(12)22-10-14)24-19-15(11-23-25(18)19)13-5-6-21-9-13/h1-12H,23H2,(H,25,28);2-12,28H,23H2,1H3;2-3,5-8,10-11,16,25H,1,4,9,23H2,(H,29,30);1-4,7-9,11-12,17,24H,5-6,10,22H2,(H,28,29);1-11,21H,20H2.
What are the key properties of 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1882.49 g/mol, XLogP of 17.35, 12 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;4-(7-amino-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylphenol;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;3-(1H-indazol-5-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1H-pyrrol-3-yl)-5-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157194848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).