3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C34H38F2N4O3 — CID 163682263

IUPAC3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)c1cc(F)c(COc2ccc(-c3c(-c4ccncc4)nn4c3C(C)N(CC3COC(C)(C)O3)CC4)cc2)cc1F
InChIInChI=1S/C34H38F2N4O3/c1-21(2)28-17-29(35)25(16-30(28)36)19-41-26-8-6-23(7-9-26)31-32(24-10-12-37-13-11-24)38-40-15-14-39(22(3)33(31)40)18-27-20-42-34(4,5)43-27/h6-13,16-17,21-22,27H,14-15,18-20H2,1-5H3
InChIKeyJLUUBUPZMCQHBW-UHFFFAOYSA-N
MW588.70 g/mol
LogP7.12
Rot. Bonds8

About 3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 163682263) has the molecular formula C34H38F2N4O3 and a molecular weight of 588.70 g/mol. Its IUPAC name is 3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID163682263
Molecular FormulaC34H38F2N4O3
Molecular Weight588.70 g/mol
Exact Mass588.29
IUPAC Name3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)c1cc(F)c(COc2ccc(-c3c(-c4ccncc4)nn4c3C(C)N(CC3COC(C)(C)O3)CC4)cc2)cc1F
InChIInChI=1S/C34H38F2N4O3/c1-21(2)28-17-29(35)25(16-30(28)36)19-41-26-8-6-23(7-9-26)31-32(24-10-12-37-13-11-24)38-40-15-14-39(22(3)33(31)40)18-27-20-42-34(4,5)43-27/h6-13,16-17,21-22,27H,14-15,18-20H2,1-5H3
InChIKeyJLUUBUPZMCQHBW-UHFFFAOYSA-N
XLogP7.12
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.70
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 163682263) is 3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CC(C)c1cc(F)c(COc2ccc(-c3c(-c4ccncc4)nn4c3C(C)N(CC3COC(C)(C)O3)CC4)cc2)cc1F.
What is the InChIKey of 3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is JLUUBUPZMCQHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F2N4O3/c1-21(2)28-17-29(35)25(16-30(28)36)19-41-26-8-6-23(7-9-26)31-32(24-10-12-37-13-11-24)38-40-15-14-39(22(3)33(31)40)18-27-20-42-34(4,5)43-27/h6-13,16-17,21-22,27H,14-15,18-20H2,1-5H3.
What are the key properties of 3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 588.70 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,5-difluoro-4-propan-2-ylphenyl)methoxy]phenyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 163682263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).