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1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one

C23H24N8O — CID 155470966

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccccn45)n3)nc2)CC1
InChIInChI=1S/C23H24N8O/c1-2-22(32)30-13-11-29(12-14-30)17-6-7-20(25-15-17)28-23-24-9-8-18(27-23)19-16-26-21-5-3-4-10-31(19)21/h3-10,15-16H,2,11-14H2,1H3,(H,24,25,27,28)
InChIKeyGNEBLBVSWJUVKQ-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.99
Rot. Bonds5

About 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one

1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one (PubChem CID 155470966) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
PubChem CID155470966
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccccn45)n3)nc2)CC1
InChIInChI=1S/C23H24N8O/c1-2-22(32)30-13-11-29(12-14-30)17-6-7-20(25-15-17)28-23-24-9-8-18(27-23)19-16-26-21-5-3-4-10-31(19)21/h3-10,15-16H,2,11-14H2,1H3,(H,24,25,27,28)
InChIKeyGNEBLBVSWJUVKQ-UHFFFAOYSA-N
XLogP2.99
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one (CID 155470966) is 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccccn45)n3)nc2)CC1.
What is the InChIKey of 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one?
The InChIKey is GNEBLBVSWJUVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-2-22(32)30-13-11-29(12-14-30)17-6-7-20(25-15-17)28-23-24-9-8-18(27-23)19-16-26-21-5-3-4-10-31(19)21/h3-10,15-16H,2,11-14H2,1H3,(H,24,25,27,28).
What are the key properties of 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one?
1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one has a molecular weight of 428.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 155470966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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