(2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid

C17H25N5O4 — CID 146223765

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

(2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid (PubChem CID 146223765) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid
• PubChem CID: 146223765
• Molecular Formula: C17H25N5O4
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.19
• IUPAC Name: (2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCc2nc(N3CCN[C@H](C(=O)O)C3)ncc2C1
• InChI: InChI=1S/C17H25N5O4/c1-17(2,3)26-16(25)22-6-4-12-11(9-22)8-19-15(20-12)21-7-5-18-13(10-21)14(23)24/h8,13,18H,4-7,9-10H2,1-3H3,(H,23,24)/t13-/m0/s1
• InChIKey: WCDMOMBTMXYSPX-ZDUSSCGKSA-N
• XLogP: 0.63
• TPSA: 107.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid (CID 146223765) is (2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid.

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

The canonical SMILES for (2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCc2nc(N3CCN[C@H](C(=O)O)C3)ncc2C1.

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

The InChIKey is WCDMOMBTMXYSPX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-17(2,3)26-16(25)22-6-4-12-11(9-22)8-19-15(20-12)21-7-5-18-13(10-21)14(23)24/h8,13,18H,4-7,9-10H2,1-3H3,(H,23,24)/t13-/m0/s1.

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

(2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid is sourced from PubChem (CID 146223765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).