N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C22H24FN5O2S — CID 76779381

IUPACN-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CC2)sc2ncnc(Nc3ccc(F)cc3OC3CCCNC3)c12
InChIInChI=1S/C22H24FN5O2S/c1-12-18-20(25-11-26-22(18)31-19(12)21(29)27-14-5-6-14)28-16-7-4-13(23)9-17(16)30-15-3-2-8-24-10-15/h4,7,9,11,14-15,24H,2-3,5-6,8,10H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyIQLHJYUDRGQQOK-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.91
Rot. Bonds6

About N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 76779381) has the molecular formula C22H24FN5O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID76779381
Molecular FormulaC22H24FN5O2S
Molecular Weight441.53 g/mol
Exact Mass441.16
IUPAC NameN-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CC2)sc2ncnc(Nc3ccc(F)cc3OC3CCCNC3)c12
InChIInChI=1S/C22H24FN5O2S/c1-12-18-20(25-11-26-22(18)31-19(12)21(29)27-14-5-6-14)28-16-7-4-13(23)9-17(16)30-15-3-2-8-24-10-15/h4,7,9,11,14-15,24H,2-3,5-6,8,10H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyIQLHJYUDRGQQOK-UHFFFAOYSA-N
XLogP3.91
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[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 N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 76779381) is N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2CC2)sc2ncnc(Nc3ccc(F)cc3OC3CCCNC3)c12.
What is the InChIKey of N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IQLHJYUDRGQQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c1-12-18-20(25-11-26-22(18)31-19(12)21(29)27-14-5-6-14)28-16-7-4-13(23)9-17(16)30-15-3-2-8-24-10-15/h4,7,9,11,14-15,24H,2-3,5-6,8,10H2,1H3,(H,27,29)(H,25,26,28).
What are the key properties of N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-fluoro-2-piperidin-3-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 76779381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).