2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one

C22H26FN7O2S — CID 121408802

IUPAC2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
SMILESCn1nccc1Nc1ncc(F)c(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1
InChIInChI=1S/C22H26FN7O2S/c1-22(2)19-14(20(31)30(22)7-6-29-8-10-32-11-9-29)12-16(33-19)18-15(23)13-24-21(27-18)26-17-4-5-25-28(17)3/h4-5,12-13H,6-11H2,1-3H3,(H,24,26,27)
InChIKeyOXDPMIRLKVUYIL-UHFFFAOYSA-N
MW471.56 g/mol
LogP2.84
Rot. Bonds6

About 2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one

2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one (PubChem CID 121408802) has the molecular formula C22H26FN7O2S and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
PubChem CID121408802
Molecular FormulaC22H26FN7O2S
Molecular Weight471.56 g/mol
Exact Mass471.19
IUPAC Name2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
SMILESCn1nccc1Nc1ncc(F)c(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1
InChIInChI=1S/C22H26FN7O2S/c1-22(2)19-14(20(31)30(22)7-6-29-8-10-32-11-9-29)12-16(33-19)18-15(23)13-24-21(27-18)26-17-4-5-25-28(17)3/h4-5,12-13H,6-11H2,1-3H3,(H,24,26,27)
InChIKeyOXDPMIRLKVUYIL-UHFFFAOYSA-N
XLogP2.84
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one?
The IUPAC name of 2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one (CID 121408802) is 2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one.
What is the SMILES notation for 2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one?
The canonical SMILES for 2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one is Cn1nccc1Nc1ncc(F)c(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1.
What is the InChIKey of 2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one?
The InChIKey is OXDPMIRLKVUYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O2S/c1-22(2)19-14(20(31)30(22)7-6-29-8-10-32-11-9-29)12-16(33-19)18-15(23)13-24-21(27-18)26-17-4-5-25-28(17)3/h4-5,12-13H,6-11H2,1-3H3,(H,24,26,27).
What are the key properties of 2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one?
2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one has a molecular weight of 471.56 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one is sourced from PubChem (CID 121408802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).