(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone

C22H20N6O2 — CID 155980899

IUPAC(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1oncc1C(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1
InChIInChI=1S/C22H20N6O2/c1-14-19(12-26-30-14)22(29)28-6-4-15(5-7-28)20-3-2-16-8-17(11-25-21(16)27-20)18-9-23-13-24-10-18/h2-3,8-13,15H,4-7H2,1H3
InChIKeyOENXCQUQPNQWPR-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.40
Rot. Bonds3

About (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone

(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 155980899) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
PubChem CID155980899
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1oncc1C(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1
InChIInChI=1S/C22H20N6O2/c1-14-19(12-26-30-14)22(29)28-6-4-15(5-7-28)20-3-2-16-8-17(11-25-21(16)27-20)18-9-23-13-24-10-18/h2-3,8-13,15H,4-7H2,1H3
InChIKeyOENXCQUQPNQWPR-UHFFFAOYSA-N
XLogP3.40
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone (CID 155980899) is (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone is Cc1oncc1C(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is OENXCQUQPNQWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-14-19(12-26-30-14)22(29)28-6-4-15(5-7-28)20-3-2-16-8-17(11-25-21(16)27-20)18-9-23-13-24-10-18/h2-3,8-13,15H,4-7H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 400.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155980899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).