N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine

C27H26N8O2S — CID 155572976

IUPACN-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6ccccc6)cn45)n3)nc2)CC1
InChIInChI=1S/C27H26N8O2S/c1-38(36,37)34-15-13-33(14-16-34)22-8-9-25(29-17-22)32-27-28-12-11-23(31-27)24-18-30-26-10-7-21(19-35(24)26)20-5-3-2-4-6-20/h2-12,17-19H,13-16H2,1H3,(H,28,29,31,32)
InChIKeyBQOWDQMAQBWNPC-UHFFFAOYSA-N
MW526.63 g/mol
LogP3.68
Rot. Bonds6

About N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine

N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 155572976) has the molecular formula C27H26N8O2S and a molecular weight of 526.63 g/mol. Its IUPAC name is N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
PubChem CID155572976
Molecular FormulaC27H26N8O2S
Molecular Weight526.63 g/mol
Exact Mass526.19
IUPAC NameN-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6ccccc6)cn45)n3)nc2)CC1
InChIInChI=1S/C27H26N8O2S/c1-38(36,37)34-15-13-33(14-16-34)22-8-9-25(29-17-22)32-27-28-12-11-23(31-27)24-18-30-26-10-7-21(19-35(24)26)20-5-3-2-4-6-20/h2-12,17-19H,13-16H2,1H3,(H,28,29,31,32)
InChIKeyBQOWDQMAQBWNPC-UHFFFAOYSA-N
XLogP3.68
TPSA108.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.63
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde
CID 155572981
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
1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
CID 155470966
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
4-imidazo[1,2-a]pyridin-3-yl-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 155573015
(2R)-2-hydroxy-1-[4-[6-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
CID 68976081
1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155470839
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-[4-(oxan-4-yloxy)phenyl]pyrimidin-2-amine
CID 141304825
5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 139390165

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (CID 155572976) is N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is CS(=O)(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6ccccc6)cn45)n3)nc2)CC1.
What is the InChIKey of N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is BQOWDQMAQBWNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O2S/c1-38(36,37)34-15-13-33(14-16-34)22-8-9-25(29-17-22)32-27-28-12-11-23(31-27)24-18-30-26-10-7-21(19-35(24)26)20-5-3-2-4-6-20/h2-12,17-19H,13-16H2,1H3,(H,28,29,31,32).
What are the key properties of N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 526.63 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 155572976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).