6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile

C113H116F3N33O4 — CID 165092655

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(F)(F)C5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(F)C5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C29H30N8O.C28H28F2N8O.C28H29FN8O.C28H29N9O/c1-38-28-7-4-20(13-32-28)16-36-24-10-25(36)18-35(17-24)27-6-5-21(14-31-27)26-11-23(34-8-2-3-9-34)19-37-29(26)22(12-30)15-33-37;1-39-26-5-2-20(14-33-26)17-35-8-10-36(11-9-35)25-4-3-21(15-32-25)24-12-23(37-7-6-28(29,30)19-37)18-38-27(24)22(13-31)16-34-38;1-38-27-5-2-20(14-32-27)17-34-8-10-35(11-9-34)26-4-3-21(15-31-26)25-12-24(36-7-6-23(29)18-36)19-37-28(25)22(13-30)16-33-37;1-38-27-5-4-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-6-2-3-7-34)18-37-28(24)20(10-29)12-33-37/h4-7,11,13-15,19,24-25H,2-3,8-10,16-18H2,1H3;2-5,12,14-16,18H,6-11,17,19H2,1H3;2-5,12,14-16,19,23H,6-11,17-18H2,1H3;4-5,9,11-14,18,22-23H,2-3,6-8,15-17H2,1H3
InChIKeyWYXKTUABUGEQSS-UHFFFAOYSA-N
MW2057.39 g/mol
LogP14.25
Rot. Bonds24

About 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile

6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165092655) has the molecular formula C113H116F3N33O4 and a molecular weight of 2057.39 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165092655
Molecular FormulaC113H116F3N33O4
Molecular Weight2057.39 g/mol
Exact Mass2055.98
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(F)(F)C5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(F)C5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C29H30N8O.C28H28F2N8O.C28H29FN8O.C28H29N9O/c1-38-28-7-4-20(13-32-28)16-36-24-10-25(36)18-35(17-24)27-6-5-21(14-31-27)26-11-23(34-8-2-3-9-34)19-37-29(26)22(12-30)15-33-37;1-39-26-5-2-20(14-33-26)17-35-8-10-36(11-9-35)25-4-3-21(15-32-25)24-12-23(37-7-6-28(29,30)19-37)18-38-27(24)22(13-31)16-34-38;1-38-27-5-2-20(14-32-27)17-34-8-10-35(11-9-34)26-4-3-21(15-31-26)25-12-24(36-7-6-23(29)18-36)19-37-28(25)22(13-30)16-33-37;1-38-27-5-4-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-6-2-3-7-34)18-37-28(24)20(10-29)12-33-37/h4-7,11,13-15,19,24-25H,2-3,8-10,16-18H2,1H3;2-5,12,14-16,18H,6-11,17,19H2,1H3;2-5,12,14-16,19,23H,6-11,17-18H2,1H3;4-5,9,11-14,18,22-23H,2-3,6-8,15-17H2,1H3
InChIKeyWYXKTUABUGEQSS-UHFFFAOYSA-N
XLogP14.25
TPSA356.17 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002057.39
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165092655) is 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(F)(F)C5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCC(F)C5)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WYXKTUABUGEQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O.C28H28F2N8O.C28H29FN8O.C28H29N9O/c1-38-28-7-4-20(13-32-28)16-36-24-10-25(36)18-35(17-24)27-6-5-21(14-31-27)26-11-23(34-8-2-3-9-34)19-37-29(26)22(12-30)15-33-37;1-39-26-5-2-20(14-33-26)17-35-8-10-36(11-9-35)25-4-3-21(15-32-25)24-12-23(37-7-6-28(29,30)19-37)18-38-27(24)22(13-31)16-34-38;1-38-27-5-2-20(14-32-27)17-34-8-10-35(11-9-34)26-4-3-21(15-31-26)25-12-24(36-7-6-23(29)18-36)19-37-28(25)22(13-30)16-33-37;1-38-27-5-4-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-6-2-3-7-34)18-37-28(24)20(10-29)12-33-37/h4-7,11,13-15,19,24-25H,2-3,8-10,16-18H2,1H3;2-5,12,14-16,18H,6-11,17,19H2,1H3;2-5,12,14-16,19,23H,6-11,17-18H2,1H3;4-5,9,11-14,18,22-23H,2-3,6-8,15-17H2,1H3.
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 2057.39 g/mol, XLogP of 14.25, 24 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3-fluoropyrrolidin-1-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165092655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).