4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine

C17H27N5OS — CID 143220739

IUPAC4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine
SMILESC[C@@H]1CN(C)C[C@H](C)N1Cc1cc2[nH]nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H27N5OS/c1-12-9-20(3)10-13(2)22(12)11-14-8-15-16(24-14)17(19-18-15)21-4-6-23-7-5-21/h8,12-13H,4-7,9-11H2,1-3H3,(H,18,19)/t12-,13+
InChIKeyRKCVUMKYBGMRQW-BETUJISGSA-N
MW349.50 g/mol
LogP1.99
Rot. Bonds3

About 4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine

4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine (PubChem CID 143220739) has the molecular formula C17H27N5OS and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine
PubChem CID143220739
Molecular FormulaC17H27N5OS
Molecular Weight349.50 g/mol
Exact Mass349.19
IUPAC Name4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine
SMILESC[C@@H]1CN(C)C[C@H](C)N1Cc1cc2[nH]nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H27N5OS/c1-12-9-20(3)10-13(2)22(12)11-14-8-15-16(24-14)17(19-18-15)21-4-6-23-7-5-21/h8,12-13H,4-7,9-11H2,1-3H3,(H,18,19)/t12-,13+
InChIKeyRKCVUMKYBGMRQW-BETUJISGSA-N
XLogP1.99
TPSA47.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine?
The IUPAC name of 4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine (CID 143220739) is 4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine?
The canonical SMILES for 4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine is C[C@@H]1CN(C)C[C@H](C)N1Cc1cc2[nH]nc(N3CCOCC3)c2s1.
What is the InChIKey of 4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine?
The InChIKey is RKCVUMKYBGMRQW-BETUJISGSA-N. The full InChI is InChI=1S/C17H27N5OS/c1-12-9-20(3)10-13(2)22(12)11-14-8-15-16(24-14)17(19-18-15)21-4-6-23-7-5-21/h8,12-13H,4-7,9-11H2,1-3H3,(H,18,19)/t12-,13+.
What are the key properties of 4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine?
4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine has a molecular weight of 349.50 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]methyl]-1H-thieno[3,2-c]pyrazol-3-yl]morpholine is sourced from PubChem (CID 143220739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).