N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine

C23H25N5O2 — CID 67416617

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3cc(C4CCOCC4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H25N5O2/c1-16-13-28(15-24-16)21-6-5-18(12-22(21)29-2)25-19-4-3-9-27-14-20(26-23(19)27)17-7-10-30-11-8-17/h3-6,9,12-15,17,25H,7-8,10-11H2,1-2H3
InChIKeyJVMOONMGHIUQTP-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.47
Rot. Bonds5

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 67416617) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine
PubChem CID67416617
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3cc(C4CCOCC4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H25N5O2/c1-16-13-28(15-24-16)21-6-5-18(12-22(21)29-2)25-19-4-3-9-27-14-20(26-23(19)27)17-7-10-30-11-8-17/h3-6,9,12-15,17,25H,7-8,10-11H2,1-2H3
InChIKeyJVMOONMGHIUQTP-UHFFFAOYSA-N
XLogP4.47
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine (CID 67416617) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine is COc1cc(Nc2cccn3cc(C4CCOCC4)nc23)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is JVMOONMGHIUQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-13-28(15-24-16)21-6-5-18(12-22(21)29-2)25-19-4-3-9-27-14-20(26-23(19)27)17-7-10-30-11-8-17/h3-6,9,12-15,17,25H,7-8,10-11H2,1-2H3.
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 403.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 67416617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).