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

C20H29N5O3 — CID 92625454

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

1-[4-[4-(methylamino)-7-[(2R)-oxolane-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 92625454) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[4-[4-(methylamino)-7-[(2R)-oxolane-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-(methylamino)-7-[(2R)-oxolane-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 92625454
• Molecular Formula: C20H29N5O3
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.23
• IUPAC Name: 1-[4-[4-(methylamino)-7-[(2R)-oxolane-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)[C@H]1CCCO1)C2
• InChI: InChI=1S/C20H29N5O3/c1-13(26)24-8-5-14(6-9-24)18-22-16-12-25(20(27)17-4-3-11-28-17)10-7-15(16)19(21-2)23-18/h14,17H,3-12H2,1-2H3,(H,21,22,23)/t17-/m1/s1
• InChIKey: KELLQIGLGRNTDA-QGZVFWFLSA-N
• XLogP: 1.31
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[4-[4-(methylamino)-7-[(2R)-oxolane-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 92625454) is 1-[4-[4-(methylamino)-7-[(2R)-oxolane-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 1-[4-[4-(methylamino)-7-[(2R)-oxolane-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)[C@H]1CCCO1)C2.

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

The InChIKey is KELLQIGLGRNTDA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-13(26)24-8-5-14(6-9-24)18-22-16-12-25(20(27)17-4-3-11-28-17)10-7-15(16)19(21-2)23-18/h14,17H,3-12H2,1-2H3,(H,21,22,23)/t17-/m1/s1.

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

1-[4-[4-(methylamino)-7-[(2R)-oxolane-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 387.48 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(methylamino)-7-[(2R)-oxolane-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92625454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).