3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole

C22H27N7O — CID 95803025

IUPAC3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(c3cnccn3)CC2)on1
InChIInChI=1S/C22H27N7O/c1-16-13-19(30-27-16)18-14-25-22(29-9-3-2-4-10-29)26-21(18)17-5-11-28(12-6-17)20-15-23-7-8-24-20/h7-8,13-15,17H,2-6,9-12H2,1H3
InChIKeySEHRWNFOIXBXLK-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.60
Rot. Bonds4

About 3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole

3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole (PubChem CID 95803025) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole
PubChem CID95803025
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(c3cnccn3)CC2)on1
InChIInChI=1S/C22H27N7O/c1-16-13-19(30-27-16)18-14-25-22(29-9-3-2-4-10-29)26-21(18)17-5-11-28(12-6-17)20-15-23-7-8-24-20/h7-8,13-15,17H,2-6,9-12H2,1H3
InChIKeySEHRWNFOIXBXLK-UHFFFAOYSA-N
XLogP3.60
TPSA84.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole (CID 95803025) is 3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole is Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(c3cnccn3)CC2)on1.
What is the InChIKey of 3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole?
The InChIKey is SEHRWNFOIXBXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-16-13-19(30-27-16)18-14-25-22(29-9-3-2-4-10-29)26-21(18)17-5-11-28(12-6-17)20-15-23-7-8-24-20/h7-8,13-15,17H,2-6,9-12H2,1H3.
What are the key properties of 3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole?
3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole has a molecular weight of 405.51 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-piperidin-1-yl-4-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-5-yl]-1,2-oxazole is sourced from PubChem (CID 95803025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).