2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid

C19H19N5O3 — CID 56877589

IUPAC2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1cc(-c2cc(-c3c(C)nn(CC(=O)O)c3C)nc(N)c2C#N)oc1C
InChIInChI=1S/C19H19N5O3/c1-9-5-16(27-12(9)4)13-6-15(22-19(21)14(13)7-20)18-10(2)23-24(11(18)3)8-17(25)26/h5-6H,8H2,1-4H3,(H2,21,22)(H,25,26)
InChIKeyMZNLDWYEDUANDW-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.98
Rot. Bonds4

About 2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid

2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid (PubChem CID 56877589) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid
PubChem CID56877589
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1cc(-c2cc(-c3c(C)nn(CC(=O)O)c3C)nc(N)c2C#N)oc1C
InChIInChI=1S/C19H19N5O3/c1-9-5-16(27-12(9)4)13-6-15(22-19(21)14(13)7-20)18-10(2)23-24(11(18)3)8-17(25)26/h5-6H,8H2,1-4H3,(H2,21,22)(H,25,26)
InChIKeyMZNLDWYEDUANDW-UHFFFAOYSA-N
XLogP2.98
TPSA130.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-amino-4-(4,5-dimethyl-2-furyl)-5-methyl-6-(1-methyl-1H-pyrazol-4-yl)nicotinonitrile
CID 56861565
2-amino-4-(3-furyl)-6-(3-methyl-1-propyl-1H-pyrazol-4-yl)nicotinonitrile
CID 56877211
2-amino-4-[5-(hydroxymethyl)-2-furyl]-5-methyl-6-(1-methyl-1H-pyrazol-4-yl)nicotinonitrile
CID 56878127
2-amino-4-(5-ethyl-2-furyl)-5-methyl-6-(1-methyl-1H-pyrazol-4-yl)nicotinonitrile
CID 56878981
2-amino-6-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-[5-(hydroxymethyl)-2-furyl]nicotinonitrile
CID 56869381
2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 162319419
2-amino-6-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(2-furyl)nicotinonitrile
CID 56873690
Ethyl 4-{5-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-YL]-2-cyanoeth-1-EN-1-YL]furan-2-YL}benzoate
CID 6083179
2-amino-4-(furan-2-yl)-6-(1H-pyrazol-4-yl)pyridine-3-carbonitrile
CID 10444841
2-Amino-4-(furan-2-yl)-6-(1-tritylpyrazol-4-yl)pyridine-3-carbonitrile
CID 11755444
2-amino-4-(furan-2-yl)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile;[(3Z,5Z)-2-methylidene-1-phenylhepta-3,5-dienyl]benzene
CID 142908419
2-amino-4-(furan-2-yl)-6-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;ethane;formaldehyde
CID 142908447

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid (CID 56877589) is 2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid is Cc1cc(-c2cc(-c3c(C)nn(CC(=O)O)c3C)nc(N)c2C#N)oc1C.
What is the InChIKey of 2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The InChIKey is MZNLDWYEDUANDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-9-5-16(27-12(9)4)13-6-15(22-19(21)14(13)7-20)18-10(2)23-24(11(18)3)8-17(25)26/h5-6H,8H2,1-4H3,(H2,21,22)(H,25,26).
What are the key properties of 2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid has a molecular weight of 365.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-amino-5-cyano-4-(4,5-dimethylfuran-2-yl)-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 56877589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).