4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde

C22H22N8O — CID 155572981

IUPAC4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde
SMILESCc1ccc2ncc(-c3ccnc(Nc4ccc(N5CCN(C=O)CC5)cn4)n3)n2c1
InChIInChI=1S/C22H22N8O/c1-16-2-5-21-25-13-19(30(21)14-16)18-6-7-23-22(26-18)27-20-4-3-17(12-24-20)29-10-8-28(15-31)9-11-29/h2-7,12-15H,8-11H2,1H3,(H,23,24,26,27)
InChIKeyXLSMFBRKQUYBMN-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.52
Rot. Bonds5

About 4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde

4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde (PubChem CID 155572981) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde
PubChem CID155572981
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde
SMILESCc1ccc2ncc(-c3ccnc(Nc4ccc(N5CCN(C=O)CC5)cn4)n3)n2c1
InChIInChI=1S/C22H22N8O/c1-16-2-5-21-25-13-19(30(21)14-16)18-6-7-23-22(26-18)27-20-4-3-17(12-24-20)29-10-8-28(15-31)9-11-29/h2-7,12-15H,8-11H2,1H3,(H,23,24,26,27)
InChIKeyXLSMFBRKQUYBMN-UHFFFAOYSA-N
XLogP2.52
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde with MolForge

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Related Compounds

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-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155573012
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-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]propan-1-one
CID 155470966
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
4-imidazo[1,2-a]pyridin-3-yl-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 155573015
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
4-[6-[[4-[2-(cyclopentylamino)-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde
CID 126535576
(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
4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888637
4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 135286568

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde (CID 155572981) is 4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde is Cc1ccc2ncc(-c3ccnc(Nc4ccc(N5CCN(C=O)CC5)cn4)n3)n2c1.
What is the InChIKey of 4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde?
The InChIKey is XLSMFBRKQUYBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-16-2-5-21-25-13-19(30(21)14-16)18-6-7-23-22(26-18)27-20-4-3-17(12-24-20)29-10-8-28(15-31)9-11-29/h2-7,12-15H,8-11H2,1H3,(H,23,24,26,27).
What are the key properties of 4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde?
4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde has a molecular weight of 414.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 155572981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).