(2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

C32H34ClFN6O5 — CID 146661935

About (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

(2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (PubChem CID 146661935) has the molecular formula C32H34ClFN6O5 and a molecular weight of 637.11 g/mol. Its IUPAC name is (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
• PubChem CID: 146661935
• Molecular Formula: C32H34ClFN6O5
• Molecular Weight: 637.11 g/mol
• Exact Mass: 636.23
• IUPAC Name: (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cn(C5CCCCO5)nc4-c4cc(Cl)ccc4F)nc3c2)C[C@@H]1C(=O)O
• InChI: InChI=1S/C32H34ClFN6O5/c1-32(2,3)45-31(43)39-12-11-38(18-27(39)30(41)42)20-15-26-25(35-16-20)10-9-24(36-26)22-17-40(28-6-4-5-13-44-28)37-29(22)21-14-19(33)7-8-23(21)34/h7-10,14-17,27-28H,4-6,11-13,18H2,1-3H3,(H,41,42)/t27-,28?/m1/s1
• InChIKey: ZJERZZGXPWGIMJ-QXPUDEPPSA-N
• XLogP: 6.16
• TPSA: 122.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.11
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?

The IUPAC name of (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (CID 146661935) is (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.

What is the SMILES notation for (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?

The canonical SMILES for (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cn(C5CCCCO5)nc4-c4cc(Cl)ccc4F)nc3c2)C[C@@H]1C(=O)O.

What is the InChIKey of (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?

The InChIKey is ZJERZZGXPWGIMJ-QXPUDEPPSA-N. The full InChI is InChI=1S/C32H34ClFN6O5/c1-32(2,3)45-31(43)39-12-11-38(18-27(39)30(41)42)20-15-26-25(35-16-20)10-9-24(36-26)22-17-40(28-6-4-5-13-44-28)37-29(22)21-14-19(33)7-8-23(21)34/h7-10,14-17,27-28H,4-6,11-13,18H2,1-3H3,(H,41,42)/t27-,28?/m1/s1.

What are the key properties of (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?

(2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid has a molecular weight of 637.11 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[6-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 146661935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).