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

C26H27N7O3S3 — CID 174197538

IUPACN-[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
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(CC(C)Nc4ncnc5c(-c6cccnc6)csc45)CC3)s2)on1
InChIInChI=1S/C26H27N7O3S3/c1-17-12-21(36-31-17)22-5-6-23(38-22)39(34,35)33-10-8-32(9-11-33)14-18(2)30-26-25-24(28-16-29-26)20(15-37-25)19-4-3-7-27-13-19/h3-7,12-13,15-16,18H,8-11,14H2,1-2H3,(H,28,29,30)
InChIKeyCKUAHLQMCHXJRW-UHFFFAOYSA-N
MW581.75 g/mol
LogP4.59
Rot. Bonds8

About 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

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 (PubChem CID 174197538) has the molecular formula C26H27N7O3S3 and a molecular weight of 581.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID174197538
Molecular FormulaC26H27N7O3S3
Molecular Weight581.75 g/mol
Exact Mass581.13
IUPAC NameN-[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
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(CC(C)Nc4ncnc5c(-c6cccnc6)csc45)CC3)s2)on1
InChIInChI=1S/C26H27N7O3S3/c1-17-12-21(36-31-17)22-5-6-23(38-22)39(34,35)33-10-8-32(9-11-33)14-18(2)30-26-25-24(28-16-29-26)20(15-37-25)19-4-3-7-27-13-19/h3-7,12-13,15-16,18H,8-11,14H2,1-2H3,(H,28,29,30)
InChIKeyCKUAHLQMCHXJRW-UHFFFAOYSA-N
XLogP4.59
TPSA117.35 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.75
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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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
7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 167377321
N-[1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 174200262
8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine
CID 174240526
5-[4-[(2S)-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propyl]piperazin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 174155204
N-[1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine
CID 170352910
N-[(2S)-1-[4-[3-(1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine
CID 164852538
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
7-methyl-N-(1-morpholin-4-ylpropan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686382
methyl N-[4-methyl-5-[4-[2-[[8-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]amino]propyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]carbamate
CID 174240513
methyl N-[4-methyl-5-[4-[(2S)-2-[[8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]quinazolin-4-yl]amino]propyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]carbamate
CID 170555439
3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936295

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccc(S(=O)(=O)N3CCN(CC(C)Nc4ncnc5c(-c6cccnc6)csc45)CC3)s2)on1.
What is the InChIKey of 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?
The InChIKey is CKUAHLQMCHXJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3S3/c1-17-12-21(36-31-17)22-5-6-23(38-22)39(34,35)33-10-8-32(9-11-33)14-18(2)30-26-25-24(28-16-29-26)20(15-37-25)19-4-3-7-27-13-19/h3-7,12-13,15-16,18H,8-11,14H2,1-2H3,(H,28,29,30).
What are the key properties of 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?
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 has a molecular weight of 581.75 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174197538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).