N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide

C111H110N36O4 — CID 157335884

IUPACN-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCCCc1cnn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C5CC5)cn4)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4ccc(C5CC5)n4)nc3)nc2)n1.Cc1cnn(-c2ccc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/2C28H27N9O.C28H29N9O.C27H27N9O/c1-17-9-23(11-24-10-18(2)35-36-24)34-27(33-17)21-6-7-25(29-14-21)28(38)31-13-19-3-8-26(30-12-19)37-16-22(15-32-37)20-4-5-20;1-17-11-22(13-23-12-18(2)34-35-23)33-27(32-17)21-6-7-25(29-16-21)28(38)31-15-19-3-8-26(30-14-19)37-10-9-24(36-37)20-4-5-20;1-4-5-21-15-32-37(17-21)26-9-6-20(13-30-26)14-31-28(38)25-8-7-22(16-29-25)27-33-18(2)10-23(34-27)12-24-11-19(3)35-36-24;1-16-12-30-36(15-16)25-8-6-20(13-29-25)19(4)32-27(37)24-7-5-21(14-28-24)26-31-17(2)9-22(33-26)11-23-10-18(3)34-35-23/h3,6-10,12,14-16,20H,4-5,11,13H2,1-2H3,(H,31,38)(H,35,36);3,6-12,14,16,20H,4-5,13,15H2,1-2H3,(H,31,38)(H,34,35);6-11,13,15-17H,4-5,12,14H2,1-3H3,(H,31,38)(H,35,36);5-10,12-15,19H,11H2,1-4H3,(H,32,37)(H,34,35)/t;;;19-/m...0/s1
InChIKeyBFVHHDBWCLDGAD-NYBMIIRXSA-N
MW2012.35 g/mol
LogP15.50
Rot. Bonds32

About N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide

N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 157335884) has the molecular formula C111H110N36O4 and a molecular weight of 2012.35 g/mol. Its IUPAC name is N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID157335884
Molecular FormulaC111H110N36O4
Molecular Weight2012.35 g/mol
Exact Mass2010.95
IUPAC NameN-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCCCc1cnn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C5CC5)cn4)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4ccc(C5CC5)n4)nc3)nc2)n1.Cc1cnn(-c2ccc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1
InChIInChI=1S/2C28H27N9O.C28H29N9O.C27H27N9O/c1-17-9-23(11-24-10-18(2)35-36-24)34-27(33-17)21-6-7-25(29-14-21)28(38)31-13-19-3-8-26(30-12-19)37-16-22(15-32-37)20-4-5-20;1-17-11-22(13-23-12-18(2)34-35-23)33-27(32-17)21-6-7-25(29-16-21)28(38)31-15-19-3-8-26(30-14-19)37-10-9-24(36-37)20-4-5-20;1-4-5-21-15-32-37(17-21)26-9-6-20(13-30-26)14-31-28(38)25-8-7-22(16-29-25)27-33-18(2)10-23(34-27)12-24-11-19(3)35-36-24;1-16-12-30-36(15-16)25-8-6-20(13-29-25)19(4)32-27(37)24-7-5-21(14-28-24)26-31-17(2)9-22(33-26)11-23-10-18(3)34-35-23/h3,6-10,12,14-16,20H,4-5,11,13H2,1-2H3,(H,31,38)(H,35,36);3,6-12,14,16,20H,4-5,13,15H2,1-2H3,(H,31,38)(H,34,35);6-11,13,15-17H,4-5,12,14H2,1-3H3,(H,31,38)(H,35,36);5-10,12-15,19H,11H2,1-4H3,(H,32,37)(H,34,35)/t;;;19-/m...0/s1
InChIKeyBFVHHDBWCLDGAD-NYBMIIRXSA-N
XLogP15.50
TPSA508.64 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms151
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002012.35
LogP ≤ 515.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-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

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 157335884) is N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide is CCCc1cnn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C5CC5)cn4)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4ccc(C5CC5)n4)nc3)nc2)n1.Cc1cnn(-c2ccc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.
What is the InChIKey of N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is BFVHHDBWCLDGAD-NYBMIIRXSA-N. The full InChI is InChI=1S/2C28H27N9O.C28H29N9O.C27H27N9O/c1-17-9-23(11-24-10-18(2)35-36-24)34-27(33-17)21-6-7-25(29-14-21)28(38)31-13-19-3-8-26(30-12-19)37-16-22(15-32-37)20-4-5-20;1-17-11-22(13-23-12-18(2)34-35-23)33-27(32-17)21-6-7-25(29-16-21)28(38)31-15-19-3-8-26(30-14-19)37-10-9-24(36-37)20-4-5-20;1-4-5-21-15-32-37(17-21)26-9-6-20(13-30-26)14-31-28(38)25-8-7-22(16-29-25)27-33-18(2)10-23(34-27)12-24-11-19(3)35-36-24;1-16-12-30-36(15-16)25-8-6-20(13-29-25)19(4)32-27(37)24-7-5-21(14-28-24)26-31-17(2)9-22(33-26)11-23-10-18(3)34-35-23/h3,6-10,12,14-16,20H,4-5,11,13H2,1-2H3,(H,31,38)(H,35,36);3,6-12,14,16,20H,4-5,13,15H2,1-2H3,(H,31,38)(H,34,35);6-11,13,15-17H,4-5,12,14H2,1-3H3,(H,31,38)(H,35,36);5-10,12-15,19H,11H2,1-4H3,(H,32,37)(H,34,35)/t;;;19-/m...0/s1.
What are the key properties of N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 2012.35 g/mol, XLogP of 15.50, 32 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 157335884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).