6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

C24H22N6O — CID 46234933

IUPAC6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(C4CCOCC4)cc3)c2n1
InChIInChI=1S/C24H22N6O/c1-2-19-14-26-29-21(19)13-18(1)22-15-30-10-9-25-24(30)23(28-22)27-20-5-3-16(4-6-20)17-7-11-31-12-8-17/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,26,29)(H,27,28)
InChIKeyWZPXYZKKCFFWMJ-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.91
Rot. Bonds4

About 6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 46234933) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID46234933
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(C4CCOCC4)cc3)c2n1
InChIInChI=1S/C24H22N6O/c1-2-19-14-26-29-21(19)13-18(1)22-15-30-10-9-25-24(30)23(28-22)27-20-5-3-16(4-6-20)17-7-11-31-12-8-17/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,26,29)(H,27,28)
InChIKeyWZPXYZKKCFFWMJ-UHFFFAOYSA-N
XLogP4.91
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 46234933) is 6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(C4CCOCC4)cc3)c2n1.
What is the InChIKey of 6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is WZPXYZKKCFFWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-2-19-14-26-29-21(19)13-18(1)22-15-30-10-9-25-24(30)23(28-22)27-20-5-3-16(4-6-20)17-7-11-31-12-8-17/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,26,29)(H,27,28).
What are the key properties of 6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 410.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-N-[4-(oxan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 46234933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).