5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C98H88F8N20O6 — CID 160548191

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C25H22F3N5O.C25H24FN5O2.C24H20F3N5O.C24H22FN5O2/c26-19-2-1-3-20(12-19)30-24(34)23-21-11-17(4-5-22(21)31-32-23)18-10-16(13-29-14-18)15-33-8-6-25(27,28)7-9-33;26-21-3-1-2-4-23(21)28-25(33)24-20-12-17(5-6-22(20)29-30-24)18-11-16(13-27-14-18)15-31-9-7-19(32)8-10-31;25-18-2-1-3-19(10-18)29-23(33)22-20-9-16(4-5-21(20)30-31-22)17-8-15(11-28-12-17)13-32-7-6-24(26,27)14-32;25-20-3-1-2-4-22(20)27-24(31)23-19-12-17(5-6-21(19)28-29-23)18-11-16(13-26-14-18)15-30-7-9-32-10-8-30/h1-5,10-14H,6-9,15H2,(H,30,34)(H,31,32);1-6,11-14,19,32H,7-10,15H2,(H,28,33)(H,29,30);1-5,8-12H,6-7,13-14H2,(H,29,33)(H,30,31);1-6,11-14H,7-10,15H2,(H,27,31)(H,28,29)
InChIKeyQXSAAYUUPDJRSQ-UHFFFAOYSA-N
MW1793.90 g/mol
LogP17.93
Rot. Bonds20

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 160548191) has the molecular formula C98H88F8N20O6 and a molecular weight of 1793.90 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID160548191
Molecular FormulaC98H88F8N20O6
Molecular Weight1793.90 g/mol
Exact Mass1792.71
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C25H22F3N5O.C25H24FN5O2.C24H20F3N5O.C24H22FN5O2/c26-19-2-1-3-20(12-19)30-24(34)23-21-11-17(4-5-22(21)31-32-23)18-10-16(13-29-14-18)15-33-8-6-25(27,28)7-9-33;26-21-3-1-2-4-23(21)28-25(33)24-20-12-17(5-6-22(20)29-30-24)18-11-16(13-27-14-18)15-31-9-7-19(32)8-10-31;25-18-2-1-3-19(10-18)29-23(33)22-20-9-16(4-5-21(20)30-31-22)17-8-15(11-28-12-17)13-32-7-6-24(26,27)14-32;25-20-3-1-2-4-22(20)27-24(31)23-19-12-17(5-6-21(19)28-29-23)18-11-16(13-26-14-18)15-30-7-9-32-10-8-30/h1-5,10-14H,6-9,15H2,(H,30,34)(H,31,32);1-6,11-14,19,32H,7-10,15H2,(H,28,33)(H,29,30);1-5,8-12H,6-7,13-14H2,(H,29,33)(H,30,31);1-6,11-14H,7-10,15H2,(H,27,31)(H,28,29)
InChIKeyQXSAAYUUPDJRSQ-UHFFFAOYSA-N
XLogP17.93
TPSA325.10 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001793.90
LogP ≤ 517.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89459049
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;N-phenyl-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 159812676
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(4-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide;N-(4-fluoro-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(5-fluoro-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(5-fluoro-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(5-fluoro-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 159725319
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[3-[(dimethylamino)methyl]phenyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[3-[(dimethylamino)methyl]phenyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 158868881
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451248
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[3-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458744
N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 162174622
N-(3-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 159954238
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450820
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[3-[(dimethylamino)methyl]phenyl]-1H-indazole-3-carboxamide
CID 89459121
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 89450524
5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158543637

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 160548191) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.
What is the InChIKey of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is QXSAAYUUPDJRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O.C25H24FN5O2.C24H20F3N5O.C24H22FN5O2/c26-19-2-1-3-20(12-19)30-24(34)23-21-11-17(4-5-22(21)31-32-23)18-10-16(13-29-14-18)15-33-8-6-25(27,28)7-9-33;26-21-3-1-2-4-23(21)28-25(33)24-20-12-17(5-6-22(20)29-30-24)18-11-16(13-27-14-18)15-31-9-7-19(32)8-10-31;25-18-2-1-3-19(10-18)29-23(33)22-20-9-16(4-5-21(20)30-31-22)17-8-15(11-28-12-17)13-32-7-6-24(26,27)14-32;25-20-3-1-2-4-22(20)27-24(31)23-19-12-17(5-6-21(19)28-29-23)18-11-16(13-26-14-18)15-30-7-9-32-10-8-30/h1-5,10-14H,6-9,15H2,(H,30,34)(H,31,32);1-6,11-14,19,32H,7-10,15H2,(H,28,33)(H,29,30);1-5,8-12H,6-7,13-14H2,(H,29,33)(H,30,31);1-6,11-14H,7-10,15H2,(H,27,31)(H,28,29).
What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 1793.90 g/mol, XLogP of 17.93, 20 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 160548191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).