2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid

C26H35N7O6 — CID 146223839

About 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid

2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 146223839) has the molecular formula C26H35N7O6 and a molecular weight of 541.61 g/mol. Its IUPAC name is 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid
• PubChem CID: 146223839
• Molecular Formula: C26H35N7O6
• Molecular Weight: 541.61 g/mol
• Exact Mass: 541.26
• IUPAC Name: 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid
• SMILES: CC(C)(C)OC(=O)[C@H]1CN(c2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)CCN1c1ncc(C(=O)O)cn1
• InChI: InChI=1S/C26H35N7O6/c1-25(2,3)38-21(36)19-15-31(9-10-33(19)22-27-11-16(12-28-22)20(34)35)23-29-13-17-14-32(8-7-18(17)30-23)24(37)39-26(4,5)6/h11-13,19H,7-10,14-15H2,1-6H3,(H,34,35)/t19-/m1/s1
• InChIKey: JOVBBTJKNGAYKM-LJQANCHMSA-N
• XLogP: 2.29
• TPSA: 151.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.61
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid?

The IUPAC name of 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid (CID 146223839) is 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid.

What is the SMILES notation for 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid?

The canonical SMILES for 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid is CC(C)(C)OC(=O)[C@H]1CN(c2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)CCN1c1ncc(C(=O)O)cn1.

What is the InChIKey of 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid?

The InChIKey is JOVBBTJKNGAYKM-LJQANCHMSA-N. The full InChI is InChI=1S/C26H35N7O6/c1-25(2,3)38-21(36)19-15-31(9-10-33(19)22-27-11-16(12-28-22)20(34)35)23-29-13-17-14-32(8-7-18(17)30-23)24(37)39-26(4,5)6/h11-13,19H,7-10,14-15H2,1-6H3,(H,34,35)/t19-/m1/s1.

What are the key properties of 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid?

2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 541.61 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 146223839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).