3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C20H23F2N5 — CID 56741106

IUPAC3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)Cn1cncc1CN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C20H23F2N5/c1-13(2)9-27-12-23-8-15(27)10-26-6-5-19-16(11-26)20(25-24-19)14-3-4-17(21)18(22)7-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,24,25)
InChIKeyQUVDJWFJIIWNLS-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.77
Rot. Bonds5

About 3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 56741106) has the molecular formula C20H23F2N5 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID56741106
Molecular FormulaC20H23F2N5
Molecular Weight371.44 g/mol
Exact Mass371.19
IUPAC Name3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)Cn1cncc1CN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C20H23F2N5/c1-13(2)9-27-12-23-8-15(27)10-26-6-5-19-16(11-26)20(25-24-19)14-3-4-17(21)18(22)7-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,24,25)
InChIKeyQUVDJWFJIIWNLS-UHFFFAOYSA-N
XLogP3.77
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 56741106) is 3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)Cn1cncc1CN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is QUVDJWFJIIWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5/c1-13(2)9-27-12-23-8-15(27)10-26-6-5-19-16(11-26)20(25-24-19)14-3-4-17(21)18(22)7-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,24,25).
What are the key properties of 3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 371.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56741106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).