1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone

C26H24N8OS — CID 155572998

IUPAC1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6cccs6)cn45)n3)nc2)CC1
InChIInChI=1S/C26H24N8OS/c1-18(35)32-10-12-33(13-11-32)20-5-6-24(28-15-20)31-26-27-9-8-21(30-26)22-16-29-25-7-4-19(17-34(22)25)23-3-2-14-36-23/h2-9,14-17H,10-13H2,1H3,(H,27,28,30,31)
InChIKeyLMCPDYIAVYXKEL-UHFFFAOYSA-N
MW496.60 g/mol
LogP4.33
Rot. Bonds5

About 1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone

1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 155572998) has the molecular formula C26H24N8OS and a molecular weight of 496.60 g/mol. Its IUPAC name is 1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID155572998
Molecular FormulaC26H24N8OS
Molecular Weight496.60 g/mol
Exact Mass496.18
IUPAC Name1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6cccs6)cn45)n3)nc2)CC1
InChIInChI=1S/C26H24N8OS/c1-18(35)32-10-12-33(13-11-32)20-5-6-24(28-15-20)31-26-27-9-8-21(30-26)22-16-29-25-7-4-19(17-34(22)25)23-3-2-14-36-23/h2-9,14-17H,10-13H2,1H3,(H,27,28,30,31)
InChIKeyLMCPDYIAVYXKEL-UHFFFAOYSA-N
XLogP4.33
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone (CID 155572998) is 1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6cccs6)cn45)n3)nc2)CC1.
What is the InChIKey of 1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is LMCPDYIAVYXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8OS/c1-18(35)32-10-12-33(13-11-32)20-5-6-24(28-15-20)31-26-27-9-8-21(30-26)22-16-29-25-7-4-19(17-34(22)25)23-3-2-14-36-23/h2-9,14-17H,10-13H2,1H3,(H,27,28,30,31).
What are the key properties of 1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 496.60 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[4-(6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 155572998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).