4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

C20H19N5O — CID 162647376

IUPAC4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3cnc(-c4cnn(C5CCCC5)c4)cn23)cc1
InChIInChI=1S/C20H19N5O/c26-17-7-5-14(6-8-17)19-10-22-20-11-21-18(13-24(19)20)15-9-23-25(12-15)16-3-1-2-4-16/h5-13,16,26H,1-4H2
InChIKeyNDLXBTKCNJLXNU-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.08
Rot. Bonds3

About 4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 162647376) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID162647376
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3cnc(-c4cnn(C5CCCC5)c4)cn23)cc1
InChIInChI=1S/C20H19N5O/c26-17-7-5-14(6-8-17)19-10-22-20-11-21-18(13-24(19)20)15-9-23-25(12-15)16-3-1-2-4-16/h5-13,16,26H,1-4H2
InChIKeyNDLXBTKCNJLXNU-UHFFFAOYSA-N
XLogP4.08
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 162647376) is 4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is Oc1ccc(-c2cnc3cnc(-c4cnn(C5CCCC5)c4)cn23)cc1.
What is the InChIKey of 4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is NDLXBTKCNJLXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-17-7-5-14(6-8-17)19-10-22-20-11-21-18(13-24(19)20)15-9-23-25(12-15)16-3-1-2-4-16/h5-13,16,26H,1-4H2.
What are the key properties of 4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 345.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-cyclopentylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 162647376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).