1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone

C23H27N7O2S — CID 56932125

IUPAC1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccnc(Nc3ncc(-c4cccnc4)s3)c2)CC1)N1CCOCC1
InChIInChI=1S/C23H27N7O2S/c31-22(30-10-12-32-13-11-30)17-28-6-8-29(9-7-28)19-3-5-25-21(14-19)27-23-26-16-20(33-23)18-2-1-4-24-15-18/h1-5,14-16H,6-13,17H2,(H,25,26,27)
InChIKeyQCBHCZCWZWNPGE-UHFFFAOYSA-N
MW465.58 g/mol
LogP2.32
Rot. Bonds6

About 1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone

1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 56932125) has the molecular formula C23H27N7O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone
PubChem CID56932125
Molecular FormulaC23H27N7O2S
Molecular Weight465.58 g/mol
Exact Mass465.19
IUPAC Name1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccnc(Nc3ncc(-c4cccnc4)s3)c2)CC1)N1CCOCC1
InChIInChI=1S/C23H27N7O2S/c31-22(30-10-12-32-13-11-30)17-28-6-8-29(9-7-28)19-3-5-25-21(14-19)27-23-26-16-20(33-23)18-2-1-4-24-15-18/h1-5,14-16H,6-13,17H2,(H,25,26,27)
InChIKeyQCBHCZCWZWNPGE-UHFFFAOYSA-N
XLogP2.32
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone (CID 56932125) is 1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccnc(Nc3ncc(-c4cccnc4)s3)c2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is QCBHCZCWZWNPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2S/c31-22(30-10-12-32-13-11-30)17-28-6-8-29(9-7-28)19-3-5-25-21(14-19)27-23-26-16-20(33-23)18-2-1-4-24-15-18/h1-5,14-16H,6-13,17H2,(H,25,26,27).
What are the key properties of 1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 465.58 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56932125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).