4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C26H31FN6OS — CID 91556339

IUPAC4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCCCC(c1cc2nc(-c3cc(F)cc4[nH]ccc34)nc(N3CCOCC3)c2s1)N1CCNCC1
InChIInChI=1S/C26H31FN6OS/c1-2-3-22(32-8-6-28-7-9-32)23-16-21-24(35-23)26(33-10-12-34-13-11-33)31-25(30-21)19-14-17(27)15-20-18(19)4-5-29-20/h4-5,14-16,22,28-29H,2-3,6-13H2,1H3
InChIKeyURDMLQZQMBJPAI-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.56
Rot. Bonds6

About 4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 91556339) has the molecular formula C26H31FN6OS and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID91556339
Molecular FormulaC26H31FN6OS
Molecular Weight494.64 g/mol
Exact Mass494.23
IUPAC Name4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCCCC(c1cc2nc(-c3cc(F)cc4[nH]ccc34)nc(N3CCOCC3)c2s1)N1CCNCC1
InChIInChI=1S/C26H31FN6OS/c1-2-3-22(32-8-6-28-7-9-32)23-16-21-24(35-23)26(33-10-12-34-13-11-33)31-25(30-21)19-14-17(27)15-20-18(19)4-5-29-20/h4-5,14-16,22,28-29H,2-3,6-13H2,1H3
InChIKeyURDMLQZQMBJPAI-UHFFFAOYSA-N
XLogP4.56
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(6-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937383
4-[2-(6-fluoro-1H-indol-4-yl)-6-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24936354
1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine
CID 59151261
4-[2-(5-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937384
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25113721
4-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-1H-indole-6-carbonitrile
CID 24936486
4-[2-(6-methoxy-1H-indol-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24938257
4-[6-[(4-ethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70957269
4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937009
5-[4-morpholin-4-yl-6-(1-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143690177
4-[2-(1H-indol-4-yl)-6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59151321
6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25123722

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 91556339) is 4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is CCCC(c1cc2nc(-c3cc(F)cc4[nH]ccc34)nc(N3CCOCC3)c2s1)N1CCNCC1.
What is the InChIKey of 4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is URDMLQZQMBJPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6OS/c1-2-3-22(32-8-6-28-7-9-32)23-16-21-24(35-23)26(33-10-12-34-13-11-33)31-25(30-21)19-14-17(27)15-20-18(19)4-5-29-20/h4-5,14-16,22,28-29H,2-3,6-13H2,1H3.
What are the key properties of 4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 494.64 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 91556339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).