N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide

C25H24FN5O3S — CID 24629657

IUPACN-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)c(C)c12
InChIInChI=1S/C25H24FN5O3S/c1-15-21-16(2)27-23(19-7-4-12-34-19)29-24(21)35-22(15)25(33)31-10-8-30(9-11-31)14-20(32)28-18-6-3-5-17(26)13-18/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,32)
InChIKeyDCCQXNCPLHUMSJ-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.10
Rot. Bonds5

About N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide (PubChem CID 24629657) has the molecular formula C25H24FN5O3S and a molecular weight of 493.56 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide
PubChem CID24629657
Molecular FormulaC25H24FN5O3S
Molecular Weight493.56 g/mol
Exact Mass493.16
IUPAC NameN-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)c(C)c12
InChIInChI=1S/C25H24FN5O3S/c1-15-21-16(2)27-23(19-7-4-12-34-19)29-24(21)35-22(15)25(33)31-10-8-30(9-11-31)14-20(32)28-18-6-3-5-17(26)13-18/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,32)
InChIKeyDCCQXNCPLHUMSJ-UHFFFAOYSA-N
XLogP4.10
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
(2,6-dimethylmorpholin-4-yl)-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 18153458
N-(4-fluoro-2-methylphenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24629562
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46666183
2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30377368
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide
CID 9020337
2-[4-(2-acetamido-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 39006102
2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18157287
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 9020291
2-(furan-2-yl)-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25472702

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide (CID 24629657) is N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide is Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)c(C)c12.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is DCCQXNCPLHUMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3S/c1-15-21-16(2)27-23(19-7-4-12-34-19)29-24(21)35-22(15)25(33)31-10-8-30(9-11-31)14-20(32)28-18-6-3-5-17(26)13-18/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,32).
What are the key properties of N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 493.56 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24629657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).