(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone

C25H30N6O2 — CID 92636192

About (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 92636192) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 92636192
• Molecular Formula: C25H30N6O2
• Molecular Weight: 446.56 g/mol
• Exact Mass: 446.24
• IUPAC Name: (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(Cc3ccccn3)CCC4)C2)o1
• InChI: InChI=1S/C25H30N6O2/c1-16-21-10-7-12-30(15-20-9-4-5-11-26-20)24(21)29-23(28-16)19-8-6-13-31(14-19)25(32)22-17(2)27-18(3)33-22/h4-5,9,11,19H,6-8,10,12-15H2,1-3H3/t19-/m1/s1
• InChIKey: OYPSJKLBVVGGRQ-LJQANCHMSA-N
• XLogP: 3.76
• TPSA: 88.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.56
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 92636192) is (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(Cc3ccccn3)CCC4)C2)o1.

What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?

The InChIKey is OYPSJKLBVVGGRQ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16-21-10-7-12-30(15-20-9-4-5-11-26-20)24(21)29-23(28-16)19-8-6-13-31(14-19)25(32)22-17(2)27-18(3)33-22/h4-5,9,11,19H,6-8,10,12-15H2,1-3H3/t19-/m1/s1.

What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?

(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 446.56 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92636192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).