5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine

C18H14N6O — CID 70798381

IUPAC5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine
SMILESCn1cc(-c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)cn1
InChIInChI=1S/C18H14N6O/c1-23-9-13(7-21-23)15-8-20-17-5-3-12(10-24(15)17)11-2-4-16-14(6-11)22-18(19)25-16/h2-10H,1H3,(H2,19,22)
InChIKeyZIKZXVOSSZXKSD-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.13
Rot. Bonds2

About 5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine

5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70798381) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70798381
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine
SMILESCn1cc(-c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)cn1
InChIInChI=1S/C18H14N6O/c1-23-9-13(7-21-23)15-8-20-17-5-3-12(10-24(15)17)11-2-4-16-14(6-11)22-18(19)25-16/h2-10H,1H3,(H2,19,22)
InChIKeyZIKZXVOSSZXKSD-UHFFFAOYSA-N
XLogP3.13
TPSA87.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine (CID 70798381) is 5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine is Cn1cc(-c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)cn1.
What is the InChIKey of 5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is ZIKZXVOSSZXKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-23-9-13(7-21-23)15-8-20-17-5-3-12(10-24(15)17)11-2-4-16-14(6-11)22-18(19)25-16/h2-10H,1H3,(H2,19,22).
What are the key properties of 5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 330.35 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70798381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).