4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine

C26H29N7O3S3 — CID 175963600

IUPAC4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(-c2ccc(S(=O)(=O)C(C(C)C3(N)N=CNc4c(-c5cccnc5)csc43)N3CCNCC3)s2)on1
InChIInChI=1S/C26H29N7O3S3/c1-16-12-20(36-32-16)21-5-6-22(38-21)39(34,35)25(33-10-8-28-9-11-33)17(2)26(27)24-23(30-15-31-26)19(14-37-24)18-4-3-7-29-13-18/h3-7,12-15,17,25,28H,8-11,27H2,1-2H3,(H,30,31)
InChIKeyILUVSXCUQJFHFJ-UHFFFAOYSA-N
MW583.77 g/mol
LogP3.74
Rot. Bonds7

About 4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine

4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine (PubChem CID 175963600) has the molecular formula C26H29N7O3S3 and a molecular weight of 583.77 g/mol. Its IUPAC name is 4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine
PubChem CID175963600
Molecular FormulaC26H29N7O3S3
Molecular Weight583.77 g/mol
Exact Mass583.15
IUPAC Name4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(-c2ccc(S(=O)(=O)C(C(C)C3(N)N=CNc4c(-c5cccnc5)csc43)N3CCNCC3)s2)on1
InChIInChI=1S/C26H29N7O3S3/c1-16-12-20(36-32-16)21-5-6-22(38-21)39(34,35)25(33-10-8-28-9-11-33)17(2)26(27)24-23(30-15-31-26)19(14-37-24)18-4-3-7-29-13-18/h3-7,12-15,17,25,28H,8-11,27H2,1-2H3,(H,30,31)
InChIKeyILUVSXCUQJFHFJ-UHFFFAOYSA-N
XLogP3.74
TPSA138.74 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.77
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 167377298
N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 174197538
5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 120810621
3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936295
N-[1-(furan-2-yl)propan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936303
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylthiophene-2-sulfonamide
CID 20936287
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180
1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119579801
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192
4-methyl-N-[2-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]anilino]-2-oxo-1-piperazin-1-ylethyl]-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]benzamide
CID 173151347

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine (CID 175963600) is 4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine is Cc1cc(-c2ccc(S(=O)(=O)C(C(C)C3(N)N=CNc4c(-c5cccnc5)csc43)N3CCNCC3)s2)on1.
What is the InChIKey of 4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ILUVSXCUQJFHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3S3/c1-16-12-20(36-32-16)21-5-6-22(38-21)39(34,35)25(33-10-8-28-9-11-33)17(2)26(27)24-23(30-15-31-26)19(14-37-24)18-4-3-7-29-13-18/h3-7,12-15,17,25,28H,8-11,27H2,1-2H3,(H,30,31).
What are the key properties of 4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine?
4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 583.77 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-1-piperazin-1-ylpropan-2-yl]-7-pyridin-3-yl-1H-thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 175963600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).