tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate

C29H34N6O4 — CID 159468850

About tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 159468850) has the molecular formula C29H34N6O4 and a molecular weight of 530.63 g/mol. Its IUPAC name is tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 159468850
• Molecular Formula: C29H34N6O4
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.26
• IUPAC Name: tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate
• SMILES: COc1cc(Cc2ccc3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)nc3n2)cc(OC)c1
• InChI: InChI=1S/C29H34N6O4/c1-29(2,3)39-28(36)34-10-8-22(9-11-34)35-18-20(16-31-35)26-17-30-25-7-6-21(32-27(25)33-26)12-19-13-23(37-4)15-24(14-19)38-5/h6-7,13-18,22H,8-12H2,1-5H3
• InChIKey: LVNNGCRZVOVCER-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 104.49 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate (CID 159468850) is tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate is COc1cc(Cc2ccc3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)nc3n2)cc(OC)c1.

What is the InChIKey of tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate?

The InChIKey is LVNNGCRZVOVCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O4/c1-29(2,3)39-28(36)34-10-8-22(9-11-34)35-18-20(16-31-35)26-17-30-25-7-6-21(32-27(25)33-26)12-19-13-23(37-4)15-24(14-19)38-5/h6-7,13-18,22H,8-12H2,1-5H3.

What are the key properties of tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate?

tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 530.63 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[6-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159468850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).