4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C20H15ClF2N6OS — CID 46223241

IUPAC4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-n3nc(Cc4cccc(F)c4F)c4csc(Cl)c43)nc(N)c21
InChIInChI=1S/C20H15ClF2N6OS/c1-20(2)12-16(24)25-19(27-17(12)26-18(20)30)29-14-9(7-31-15(14)21)11(28-29)6-8-4-3-5-10(22)13(8)23/h3-5,7H,6H2,1-2H3,(H3,24,25,26,27,30)
InChIKeyYARSWUUHXWLFMO-UHFFFAOYSA-N
MW460.90 g/mol
LogP4.21
Rot. Bonds3

About 4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 46223241) has the molecular formula C20H15ClF2N6OS and a molecular weight of 460.90 g/mol. Its IUPAC name is 4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID46223241
Molecular FormulaC20H15ClF2N6OS
Molecular Weight460.90 g/mol
Exact Mass460.07
IUPAC Name4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-n3nc(Cc4cccc(F)c4F)c4csc(Cl)c43)nc(N)c21
InChIInChI=1S/C20H15ClF2N6OS/c1-20(2)12-16(24)25-19(27-17(12)26-18(20)30)29-14-9(7-31-15(14)21)11(28-29)6-8-4-3-5-10(22)13(8)23/h3-5,7H,6H2,1-2H3,(H3,24,25,26,27,30)
InChIKeyYARSWUUHXWLFMO-UHFFFAOYSA-N
XLogP4.21
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 46223241) is 4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2nc(-n3nc(Cc4cccc(F)c4F)c4csc(Cl)c43)nc(N)c21.
What is the InChIKey of 4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is YARSWUUHXWLFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N6OS/c1-20(2)12-16(24)25-19(27-17(12)26-18(20)30)29-14-9(7-31-15(14)21)11(28-29)6-8-4-3-5-10(22)13(8)23/h3-5,7H,6H2,1-2H3,(H3,24,25,26,27,30).
What are the key properties of 4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 460.90 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[6-chloro-3-[(2,3-difluorophenyl)methyl]thieno[3,4-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 46223241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).