4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C24H24FN5O2S — CID 138580921

IUPAC4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCc2ccncc2)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12
InChIInChI=1S/C24H24FN5O2S/c1-14(2)32-19-12-17(25)4-5-18(19)30-22-20-15(3)21(33-24(20)29-13-28-22)23(31)27-11-8-16-6-9-26-10-7-16/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,27,31)(H,28,29,30)
InChIKeyLIHVOLKCHGNEIG-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.04
Rot. Bonds8

About 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 138580921) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID138580921
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC Name4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCc2ccncc2)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12
InChIInChI=1S/C24H24FN5O2S/c1-14(2)32-19-12-17(25)4-5-18(19)30-22-20-15(3)21(33-24(20)29-13-28-22)23(31)27-11-8-16-6-9-26-10-7-16/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,27,31)(H,28,29,30)
InChIKeyLIHVOLKCHGNEIG-UHFFFAOYSA-N
XLogP5.04
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide 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 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 138580921) is 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCc2ccncc2)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12.
What is the InChIKey of 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LIHVOLKCHGNEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-14(2)32-19-12-17(25)4-5-18(19)30-22-20-15(3)21(33-24(20)29-13-28-22)23(31)27-11-8-16-6-9-26-10-7-16/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,27,31)(H,28,29,30).
What are the key properties of 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 138580921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).