3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C21H22F2N4O — CID 56750400

IUPAC3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1c(C)cnc(CN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c1C
InChIInChI=1S/C21H22F2N4O/c1-12-9-24-19(13(2)21(12)28-3)11-27-7-6-18-15(10-27)20(26-25-18)14-4-5-16(22)17(23)8-14/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,25,26)
InChIKeyXCFXBQVNDLNCTK-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.93
Rot. Bonds4

About 3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 56750400) has the molecular formula C21H22F2N4O and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID56750400
Molecular FormulaC21H22F2N4O
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Name3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1c(C)cnc(CN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c1C
InChIInChI=1S/C21H22F2N4O/c1-12-9-24-19(13(2)21(12)28-3)11-27-7-6-18-15(10-27)20(26-25-18)14-4-5-16(22)17(23)8-14/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,25,26)
InChIKeyXCFXBQVNDLNCTK-UHFFFAOYSA-N
XLogP3.93
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.93
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-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 56750400) is 3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1c(C)cnc(CN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c1C.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is XCFXBQVNDLNCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O/c1-12-9-24-19(13(2)21(12)28-3)11-27-7-6-18-15(10-27)20(26-25-18)14-4-5-16(22)17(23)8-14/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,25,26).
What are the key properties of 3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3,4-difluorophenyl)-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 384.43 g/mol, XLogP of 3.93, 4 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-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56750400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).