4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C25H29FN6OS — CID 24936355

IUPAC4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESC[C@@H]1CN(Cc2cc3nc(-c4cc(F)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)C[C@H](C)N1
InChIInChI=1S/C25H29FN6OS/c1-15-12-31(13-16(2)28-15)14-18-11-22-23(34-18)25(32-5-7-33-8-6-32)30-24(29-22)20-9-17(26)10-21-19(20)3-4-27-21/h3-4,9-11,15-16,27-28H,5-8,12-14H2,1-2H3/t15-,16+
InChIKeyPOULHVITYHQHSZ-IYBDPMFKSA-N
MW480.61 g/mol
LogP4.00
Rot. Bonds4

About 4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 24936355) has the molecular formula C25H29FN6OS and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID24936355
Molecular FormulaC25H29FN6OS
Molecular Weight480.61 g/mol
Exact Mass480.21
IUPAC Name4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESC[C@@H]1CN(Cc2cc3nc(-c4cc(F)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)C[C@H](C)N1
InChIInChI=1S/C25H29FN6OS/c1-15-12-31(13-16(2)28-15)14-18-11-22-23(34-18)25(32-5-7-33-8-6-32)30-24(29-22)20-9-17(26)10-21-19(20)3-4-27-21/h3-4,9-11,15-16,27-28H,5-8,12-14H2,1-2H3/t15-,16+
InChIKeyPOULHVITYHQHSZ-IYBDPMFKSA-N
XLogP4.00
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 24936355) is 4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is C[C@@H]1CN(Cc2cc3nc(-c4cc(F)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)C[C@H](C)N1.
What is the InChIKey of 4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is POULHVITYHQHSZ-IYBDPMFKSA-N. The full InChI is InChI=1S/C25H29FN6OS/c1-15-12-31(13-16(2)28-15)14-18-11-22-23(34-18)25(32-5-7-33-8-6-32)30-24(29-22)20-9-17(26)10-21-19(20)3-4-27-21/h3-4,9-11,15-16,27-28H,5-8,12-14H2,1-2H3/t15-,16+.
What are the key properties of 4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 480.61 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 24936355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).