1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C₂₀H₂₆N₆O₂S — CID 92624553

About 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92624553) has the molecular formula C₂₀H₂₆N₆O₂S and a molecular weight of 414.54 g/mol. Its IUPAC name is 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 92624553
• Molecular Formula: C₂₀H₂₆N₆O₂S
• Molecular Weight: 414.54 g/mol
• Exact Mass: 414.18
• IUPAC Name: 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
• SMILES: CNc1nc([C@H]2CCCCN2C(=O)c2scnc2C)nc2c1CN(C(C)=O)CC2
• InChI: InChI=1S/C20H26N6O2S/c1-12-17(29-11-22-12)20(28)26-8-5-4-6-16(26)19-23-15-7-9-25(13(2)27)10-14(15)18(21-3)24-19/h11,16H,4-10H2,1-3H3,(H,21,23,24)/t16-/m1/s1
• InChIKey: PODYKULEGGCNMP-MRXNPFEDSA-N
• XLogP: 2.56
• TPSA: 91.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.54
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?

The IUPAC name of 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92624553) is 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?

The canonical SMILES for 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CNc1nc([C@H]2CCCCN2C(=O)c2scnc2C)nc2c1CN(C(C)=O)CC2.

What is the InChIKey of 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?

The InChIKey is PODYKULEGGCNMP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N6O2S/c1-12-17(29-11-22-12)20(28)26-8-5-4-6-16(26)19-23-15-7-9-25(13(2)27)10-14(15)18(21-3)24-19/h11,16H,4-10H2,1-3H3,(H,21,23,24)/t16-/m1/s1.

What are the key properties of 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?

1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 414.54 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92624553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 92624553 — identifiers, structure, computed properties (public domain)

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