(2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid

C19H19F2N5O4 — CID 166598402

IUPAC(2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
SMILESCOc1c(F)ccc(C(=O)N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)c1F.O=CO
InChIInChI=1S/C18H17F2N5O2.CH2O2/c1-24-6-10(5-23-24)12-7-25(8-14-16(12)22-9-21-14)18(26)11-3-4-13(19)17(27-2)15(11)20;2-1-3/h3-6,9,12H,7-8H2,1-2H3,(H,21,22);1H,(H,2,3)
InChIKeyFTTAMMUPRFRGFU-UHFFFAOYSA-N
MW419.39 g/mol
LogP1.92
Rot. Bonds3

About (2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid

(2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid (PubChem CID 166598402) has the molecular formula C19H19F2N5O4 and a molecular weight of 419.39 g/mol. Its IUPAC name is (2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid.

Molecular Properties

Compound Name(2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
PubChem CID166598402
Molecular FormulaC19H19F2N5O4
Molecular Weight419.39 g/mol
Exact Mass419.14
IUPAC Name(2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
SMILESCOc1c(F)ccc(C(=O)N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)c1F.O=CO
InChIInChI=1S/C18H17F2N5O2.CH2O2/c1-24-6-10(5-23-24)12-7-25(8-14-16(12)22-9-21-14)18(26)11-3-4-13(19)17(27-2)15(11)20;2-1-3/h3-6,9,12H,7-8H2,1-2H3,(H,21,22);1H,(H,2,3)
InChIKeyFTTAMMUPRFRGFU-UHFFFAOYSA-N
XLogP1.92
TPSA113.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 164696375
(1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598682
formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 166598509
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165422967
formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine
CID 171322790
formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 171322404
1,3-dihydro-2-benzofuran-4-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598641
(3,4-difluorophenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164699015
(3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165427708
[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone
CID 165419465
formic acid;3-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
CID 166599653
methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate
CID 165417580

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid?
The IUPAC name of (2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid (CID 166598402) is (2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid.
What is the SMILES notation for (2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid?
The canonical SMILES for (2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid is COc1c(F)ccc(C(=O)N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)c1F.O=CO.
What is the InChIKey of (2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid?
The InChIKey is FTTAMMUPRFRGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2.CH2O2/c1-24-6-10(5-23-24)12-7-25(8-14-16(12)22-9-21-14)18(26)11-3-4-13(19)17(27-2)15(11)20;2-1-3/h3-6,9,12H,7-8H2,1-2H3,(H,21,22);1H,(H,2,3).
What are the key properties of (2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid?
(2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid has a molecular weight of 419.39 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid is sourced from PubChem (CID 166598402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).