4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine

C33H34F2N6O2S — CID 176702606

IUPAC4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine
SMILESCOCCOc1cc(F)cc(F)c1-c1c(-c2cc3n(n2)CCN[C@H]3C)nc(-c2cnc3c(c2)[C@@H](C)N(C)CC3)c2sccc12
InChIInChI=1S/C33H34F2N6O2S/c1-18-27-16-26(39-41(27)9-7-36-18)32-29(30-24(35)14-21(34)15-28(30)43-11-10-42-4)22-6-12-44-33(22)31(38-32)20-13-23-19(2)40(3)8-5-25(23)37-17-20/h6,12-19,36H,5,7-11H2,1-4H3/t18-,19+/m0/s1
InChIKeyJHRUMEAOTODTLZ-RBUKOAKNSA-N
MW616.74 g/mol
LogP6.41
Rot. Bonds7

About 4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine

4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine (PubChem CID 176702606) has the molecular formula C33H34F2N6O2S and a molecular weight of 616.74 g/mol. Its IUPAC name is 4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine
PubChem CID176702606
Molecular FormulaC33H34F2N6O2S
Molecular Weight616.74 g/mol
Exact Mass616.24
IUPAC Name4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine
SMILESCOCCOc1cc(F)cc(F)c1-c1c(-c2cc3n(n2)CCN[C@H]3C)nc(-c2cnc3c(c2)[C@@H](C)N(C)CC3)c2sccc12
InChIInChI=1S/C33H34F2N6O2S/c1-18-27-16-26(39-41(27)9-7-36-18)32-29(30-24(35)14-21(34)15-28(30)43-11-10-42-4)22-6-12-44-33(22)31(38-32)20-13-23-19(2)40(3)8-5-25(23)37-17-20/h6,12-19,36H,5,7-11H2,1-4H3/t18-,19+/m0/s1
InChIKeyJHRUMEAOTODTLZ-RBUKOAKNSA-N
XLogP6.41
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.74
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine?
The IUPAC name of 4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine (CID 176702606) is 4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine.
What is the SMILES notation for 4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine?
The canonical SMILES for 4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine is COCCOc1cc(F)cc(F)c1-c1c(-c2cc3n(n2)CCN[C@H]3C)nc(-c2cnc3c(c2)[C@@H](C)N(C)CC3)c2sccc12.
What is the InChIKey of 4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine?
The InChIKey is JHRUMEAOTODTLZ-RBUKOAKNSA-N. The full InChI is InChI=1S/C33H34F2N6O2S/c1-18-27-16-26(39-41(27)9-7-36-18)32-29(30-24(35)14-21(34)15-28(30)43-11-10-42-4)22-6-12-44-33(22)31(38-32)20-13-23-19(2)40(3)8-5-25(23)37-17-20/h6,12-19,36H,5,7-11H2,1-4H3/t18-,19+/m0/s1.
What are the key properties of 4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine?
4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine has a molecular weight of 616.74 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-7-[(5R)-5,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-5-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]thieno[2,3-c]pyridine is sourced from PubChem (CID 176702606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).