6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one

C23H20F3N7OS — CID 147577050

IUPAC6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one
SMILESCn1nccc1Nc1nccc(-c2cc3c(s2)C(C)(C)N(Cc2ccc(C(F)(F)F)nc2)C3=O)n1
InChIInChI=1S/C23H20F3N7OS/c1-22(2)19-14(20(34)33(22)12-13-4-5-17(28-11-13)23(24,25)26)10-16(35-19)15-6-8-27-21(30-15)31-18-7-9-29-32(18)3/h4-11H,12H2,1-3H3,(H,27,30,31)
InChIKeyFVRHQNAGAZUGDO-UHFFFAOYSA-N
MW499.52 g/mol
LogP4.99
Rot. Bonds5

About 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one

6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one (PubChem CID 147577050) has the molecular formula C23H20F3N7OS and a molecular weight of 499.52 g/mol. Its IUPAC name is 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one
PubChem CID147577050
Molecular FormulaC23H20F3N7OS
Molecular Weight499.52 g/mol
Exact Mass499.14
IUPAC Name6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one
SMILESCn1nccc1Nc1nccc(-c2cc3c(s2)C(C)(C)N(Cc2ccc(C(F)(F)F)nc2)C3=O)n1
InChIInChI=1S/C23H20F3N7OS/c1-22(2)19-14(20(34)33(22)12-13-4-5-17(28-11-13)23(24,25)26)10-16(35-19)15-6-8-27-21(30-15)31-18-7-9-29-32(18)3/h4-11H,12H2,1-3H3,(H,27,30,31)
InChIKeyFVRHQNAGAZUGDO-UHFFFAOYSA-N
XLogP4.99
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one?
The IUPAC name of 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one (CID 147577050) is 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one.
What is the SMILES notation for 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one?
The canonical SMILES for 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one is Cn1nccc1Nc1nccc(-c2cc3c(s2)C(C)(C)N(Cc2ccc(C(F)(F)F)nc2)C3=O)n1.
What is the InChIKey of 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one?
The InChIKey is FVRHQNAGAZUGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7OS/c1-22(2)19-14(20(34)33(22)12-13-4-5-17(28-11-13)23(24,25)26)10-16(35-19)15-6-8-27-21(30-15)31-18-7-9-29-32(18)3/h4-11H,12H2,1-3H3,(H,27,30,31).
What are the key properties of 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one?
6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one has a molecular weight of 499.52 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[2,3-c]pyrrol-4-one is sourced from PubChem (CID 147577050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).