1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

C108H125F15N20O7 — CID 161455325

IUPAC1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESC=C(CNC)N1CCCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CN(C(C)=O)CC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CNCC2
InChIInChI=1S/C24H30F3N5O.C23H27F3N4O2.C21H23F3N4O2.C20H23F3N4O.C20H22F3N3O/c1-16(14-28-2)32-11-5-8-21-19(15-32)22(30-29-21)23(33)31-12-9-17(10-13-31)18-6-3-4-7-20(18)24(25,26)27;1-3-30-20-14-29(15(2)31)13-10-18(20)21(27-30)22(32)28-11-8-16(9-12-28)17-6-4-5-7-19(17)23(24,25)26;1-13(29)28-11-8-18-16(12-28)19(26-25-18)20(30)27-9-6-14(7-10-27)15-4-2-3-5-17(15)21(22,23)24;1-26-17-12-24-9-6-15(17)18(25-26)19(28)27-10-7-13(8-11-27)14-4-2-3-5-16(14)20(21,22)23;1-25-17-8-4-6-15(17)18(24-25)19(27)26-11-9-13(10-12-26)14-5-2-3-7-16(14)20(21,22)23/h3-4,6-7,17,28H,1,5,8-15H2,2H3,(H,29,30);4-7,16H,3,8-14H2,1-2H3;2-5,14H,6-12H2,1H3,(H,25,26);2-5,13,24H,6-12H2,1H3;2-3,5,7,13H,4,6,8-12H2,1H3
InChIKeyWBBQRUHXMOXARI-UHFFFAOYSA-N
MW2100.29 g/mol
LogP18.18
Rot. Bonds14

About 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 161455325) has the molecular formula C108H125F15N20O7 and a molecular weight of 2100.29 g/mol. Its IUPAC name is 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID161455325
Molecular FormulaC108H125F15N20O7
Molecular Weight2100.29 g/mol
Exact Mass2098.98
IUPAC Name1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESC=C(CNC)N1CCCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CN(C(C)=O)CC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CNCC2
InChIInChI=1S/C24H30F3N5O.C23H27F3N4O2.C21H23F3N4O2.C20H23F3N4O.C20H22F3N3O/c1-16(14-28-2)32-11-5-8-21-19(15-32)22(30-29-21)23(33)31-12-9-17(10-13-31)18-6-3-4-7-20(18)24(25,26)27;1-3-30-20-14-29(15(2)31)13-10-18(20)21(27-30)22(32)28-11-8-16(9-12-28)17-6-4-5-7-19(17)23(24,25)26;1-13(29)28-11-8-18-16(12-28)19(26-25-18)20(30)27-9-6-14(7-10-27)15-4-2-3-5-17(15)21(22,23)24;1-26-17-12-24-9-6-15(17)18(25-26)19(28)27-10-7-13(8-11-27)14-4-2-3-5-16(14)20(21,22)23;1-25-17-8-4-6-15(17)18(24-25)19(27)26-11-9-13(10-12-26)14-5-2-3-7-16(14)20(21,22)23/h3-4,6-7,17,28H,1,5,8-15H2,2H3,(H,29,30);4-7,16H,3,8-14H2,1-2H3;2-5,14H,6-12H2,1H3,(H,25,26);2-5,13,24H,6-12H2,1H3;2-3,5,7,13H,4,6,8-12H2,1H3
InChIKeyWBBQRUHXMOXARI-UHFFFAOYSA-N
XLogP18.18
TPSA280.29 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.29
LogP ≤ 518.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 161455325) is 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is C=C(CNC)N1CCCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CN(C(C)=O)CC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CNCC2.
What is the InChIKey of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is WBBQRUHXMOXARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O.C23H27F3N4O2.C21H23F3N4O2.C20H23F3N4O.C20H22F3N3O/c1-16(14-28-2)32-11-5-8-21-19(15-32)22(30-29-21)23(33)31-12-9-17(10-13-31)18-6-3-4-7-20(18)24(25,26)27;1-3-30-20-14-29(15(2)31)13-10-18(20)21(27-30)22(32)28-11-8-16(9-12-28)17-6-4-5-7-19(17)23(24,25)26;1-13(29)28-11-8-18-16(12-28)19(26-25-18)20(30)27-9-6-14(7-10-27)15-4-2-3-5-17(15)21(22,23)24;1-26-17-12-24-9-6-15(17)18(25-26)19(28)27-10-7-13(8-11-27)14-4-2-3-5-16(14)20(21,22)23;1-25-17-8-4-6-15(17)18(24-25)19(27)26-11-9-13(10-12-26)14-5-2-3-7-16(14)20(21,22)23/h3-4,6-7,17,28H,1,5,8-15H2,2H3,(H,29,30);4-7,16H,3,8-14H2,1-2H3;2-5,14H,6-12H2,1H3,(H,25,26);2-5,13,24H,6-12H2,1H3;2-3,5,7,13H,4,6,8-12H2,1H3.
What are the key properties of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2100.29 g/mol, XLogP of 18.18, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 161455325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).