4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C25H29FN6O4S — CID 46182443

IUPAC4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC3CCN(CC(=O)N4CCOCC4)CC3)c12
InChIInChI=1S/C25H29FN6O4S/c1-15-21-24(28-14-29-25(21)37-22(15)23(27)34)30-18-3-2-16(26)12-19(18)36-17-4-6-31(7-5-17)13-20(33)32-8-10-35-11-9-32/h2-3,12,14,17H,4-11,13H2,1H3,(H2,27,34)(H,28,29,30)
InChIKeySGVAIMLQDSZAQH-UHFFFAOYSA-N
MW528.61 g/mol
LogP2.68
Rot. Bonds7

About 4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46182443) has the molecular formula C25H29FN6O4S and a molecular weight of 528.61 g/mol. Its IUPAC name is 4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46182443
Molecular FormulaC25H29FN6O4S
Molecular Weight528.61 g/mol
Exact Mass528.20
IUPAC Name4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC3CCN(CC(=O)N4CCOCC4)CC3)c12
InChIInChI=1S/C25H29FN6O4S/c1-15-21-24(28-14-29-25(21)37-22(15)23(27)34)30-18-3-2-16(26)12-19(18)36-17-4-6-31(7-5-17)13-20(33)32-8-10-35-11-9-32/h2-3,12,14,17H,4-11,13H2,1H3,(H2,27,34)(H,28,29,30)
InChIKeySGVAIMLQDSZAQH-UHFFFAOYSA-N
XLogP2.68
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.61
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-fluoro-2-(4-morpholin-4-ylcyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 58421528
4-[2-[1-(2-aminoethyl)piperidin-4-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46182389
2-[4-[2-[(6-carbamoyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-5-fluorophenoxy]piperidin-1-yl]ethyl acetate
CID 46182390
4-[2-[1-[2-(dimethylamino)acetyl]pyrrolidin-3-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 58413013
4-[4-fluoro-2-[(1S,3S)-3-hydroxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 67390263
4-[4-fluoro-2-[3-(methylamino)cyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 67389956
4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46182081
4-[2-[(1S,2S)-2-aminocyclopentyl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 58421738
4-[4-fluoro-2-(2-hydroxycyclopentyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 76781884
4-[4-fluoro-2-[(3S)-pyrrolidin-3-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 67395280
4-[2-(2,2-difluoroethoxy)-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 91808099
4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 58421486

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 46182443) is 4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC3CCN(CC(=O)N4CCOCC4)CC3)c12.
What is the InChIKey of 4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SGVAIMLQDSZAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O4S/c1-15-21-24(28-14-29-25(21)37-22(15)23(27)34)30-18-3-2-16(26)12-19(18)36-17-4-6-31(7-5-17)13-20(33)32-8-10-35-11-9-32/h2-3,12,14,17H,4-11,13H2,1H3,(H2,27,34)(H,28,29,30).
What are the key properties of 4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 528.61 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46182443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).