6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine

C25H25N7O2 — CID 155587459

IUPAC6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCCOc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)c5)cc4)ncn3)cnc2c1
InChIInChI=1S/C25H25N7O2/c1-31-16-20(14-30-31)19-5-3-18(4-6-19)13-26-24-12-22(28-17-29-24)23-15-27-25-11-21(7-8-32(23)25)34-10-9-33-2/h3-8,11-12,14-17H,9-10,13H2,1-2H3,(H,26,28,29)
InChIKeyKGDRSHLTWPCNHK-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.83
Rot. Bonds9

About 6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine

6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 155587459) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID155587459
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCCOc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)c5)cc4)ncn3)cnc2c1
InChIInChI=1S/C25H25N7O2/c1-31-16-20(14-30-31)19-5-3-18(4-6-19)13-26-24-12-22(28-17-29-24)23-15-27-25-11-21(7-8-32(23)25)34-10-9-33-2/h3-8,11-12,14-17H,9-10,13H2,1-2H3,(H,26,28,29)
InChIKeyKGDRSHLTWPCNHK-UHFFFAOYSA-N
XLogP3.83
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine (CID 155587459) is 6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine is COCCOc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)c5)cc4)ncn3)cnc2c1.
What is the InChIKey of 6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is KGDRSHLTWPCNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-31-16-20(14-30-31)19-5-3-18(4-6-19)13-26-24-12-22(28-17-29-24)23-15-27-25-11-21(7-8-32(23)25)34-10-9-33-2/h3-8,11-12,14-17H,9-10,13H2,1-2H3,(H,26,28,29).
What are the key properties of 6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 455.52 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 155587459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).