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

C27H25N9O — CID 155573012

IUPAC1-[4-[6-[[4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6cccnc6)cn45)n3)nc2)CC1
InChIInChI=1S/C27H25N9O/c1-19(37)34-11-13-35(14-12-34)22-5-6-25(30-16-22)33-27-29-10-8-23(32-27)24-17-31-26-7-4-21(18-36(24)26)20-3-2-9-28-15-20/h2-10,15-18H,11-14H2,1H3,(H,29,30,32,33)
InChIKeyNHHRNISUMUJJHH-UHFFFAOYSA-N
MW491.56 g/mol
LogP3.66
Rot. Bonds5

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

1-[4-[6-[[4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 155573012) has the molecular formula C27H25N9O and a molecular weight of 491.56 g/mol. Its IUPAC name is 1-[4-[6-[[4-(6-pyridin-3-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-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID155573012
Molecular FormulaC27H25N9O
Molecular Weight491.56 g/mol
Exact Mass491.22
IUPAC Name1-[4-[6-[[4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6cccnc6)cn45)n3)nc2)CC1
InChIInChI=1S/C27H25N9O/c1-19(37)34-11-13-35(14-12-34)22-5-6-25(30-16-22)33-27-29-10-8-23(32-27)24-17-31-26-7-4-21(18-36(24)26)20-3-2-9-28-15-20/h2-10,15-18H,11-14H2,1H3,(H,29,30,32,33)
InChIKeyNHHRNISUMUJJHH-UHFFFAOYSA-N
XLogP3.66
TPSA104.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-[4-[6-[[4-(6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155573006
1-[4-[6-[[4-[6-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155573004
1-[4-[6-[[4-[6-(6-thiabicyclo[3.2.1]octa-1(8),2,4-trien-8-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 175719571
N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 155572976
1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
CID 155470966
4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde
CID 155572981
1-[4-[4-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 68937841
1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155470839
1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357548
4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 175733041
furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone
CID 171574245
1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone
CID 152574958

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[4-(6-pyridin-3-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-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone (CID 155573012) is 1-[4-[6-[[4-(6-pyridin-3-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-pyridin-3-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-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6cccnc6)cn45)n3)nc2)CC1.
What is the InChIKey of 1-[4-[6-[[4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is NHHRNISUMUJJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9O/c1-19(37)34-11-13-35(14-12-34)22-5-6-25(30-16-22)33-27-29-10-8-23(32-27)24-17-31-26-7-4-21(18-36(24)26)20-3-2-9-28-15-20/h2-10,15-18H,11-14H2,1H3,(H,29,30,32,33).
What are the key properties of 1-[4-[6-[[4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-[[4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 491.56 g/mol, XLogP of 3.66, 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-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 155573012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).