7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine

C32H30F2N6O2S — CID 176702190

IUPAC7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine
SMILESCOCCOc1cc(F)cc(F)c1-c1c(-c2cc3n(n2)C(C)CNC3C)nc(-c2cnc3ccn(C)c3c2)c2ccsc12
InChIInChI=1S/C32H30F2N6O2S/c1-17-15-35-18(2)25-14-24(38-40(17)25)31-29(28-22(34)12-20(33)13-27(28)42-9-8-41-4)32-21(6-10-43-32)30(37-31)19-11-26-23(36-16-19)5-7-39(26)3/h5-7,10-14,16-18,35H,8-9,15H2,1-4H3
InChIKeyAZUGTZDIUDJAFT-UHFFFAOYSA-N
MW600.70 g/mol
LogP6.91
Rot. Bonds7

About 7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine

7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine (PubChem CID 176702190) has the molecular formula C32H30F2N6O2S and a molecular weight of 600.70 g/mol. Its IUPAC name is 7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine
PubChem CID176702190
Molecular FormulaC32H30F2N6O2S
Molecular Weight600.70 g/mol
Exact Mass600.21
IUPAC Name7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine
SMILESCOCCOc1cc(F)cc(F)c1-c1c(-c2cc3n(n2)C(C)CNC3C)nc(-c2cnc3ccn(C)c3c2)c2ccsc12
InChIInChI=1S/C32H30F2N6O2S/c1-17-15-35-18(2)25-14-24(38-40(17)25)31-29(28-22(34)12-20(33)13-27(28)42-9-8-41-4)32-21(6-10-43-32)30(37-31)19-11-26-23(36-16-19)5-7-39(26)3/h5-7,10-14,16-18,35H,8-9,15H2,1-4H3
InChIKeyAZUGTZDIUDJAFT-UHFFFAOYSA-N
XLogP6.91
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.70
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine?
The IUPAC name of 7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine (CID 176702190) is 7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine.
What is the SMILES notation for 7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine?
The canonical SMILES for 7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine is COCCOc1cc(F)cc(F)c1-c1c(-c2cc3n(n2)C(C)CNC3C)nc(-c2cnc3ccn(C)c3c2)c2ccsc12.
What is the InChIKey of 7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine?
The InChIKey is AZUGTZDIUDJAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N6O2S/c1-17-15-35-18(2)25-14-24(38-40(17)25)31-29(28-22(34)12-20(33)13-27(28)42-9-8-41-4)32-21(6-10-43-32)30(37-31)19-11-26-23(36-16-19)5-7-39(26)3/h5-7,10-14,16-18,35H,8-9,15H2,1-4H3.
What are the key properties of 7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine?
7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine has a molecular weight of 600.70 g/mol, XLogP of 6.91, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-6-(4,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-4-(1-methylpyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-c]pyridine is sourced from PubChem (CID 176702190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).