tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate

C38H47FN8O5 — CID 176923567

About tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate

tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate (PubChem CID 176923567) has the molecular formula C38H47FN8O5 and a molecular weight of 714.84 g/mol. Its IUPAC name is tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate
• PubChem CID: 176923567
• Molecular Formula: C38H47FN8O5
• Molecular Weight: 714.84 g/mol
• Exact Mass: 714.37
• IUPAC Name: tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate
• SMILES: CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CCC(Oc2ccnc3c2CN(Cc2cnn(C(=O)OC(C)(C)C)c2)CC3)CC1)C(C)C
• InChI: InChI=1S/C38H47FN8O5/c1-7-46(25(2)3)36(48)29-18-27(39)8-9-32(29)51-34-20-40-24-42-35(34)45-16-11-28(12-17-45)50-33-10-14-41-31-13-15-44(23-30(31)33)21-26-19-43-47(22-26)37(49)52-38(4,5)6/h8-10,14,18-20,22,24-25,28H,7,11-13,15-17,21,23H2,1-6H3
• InChIKey: ZVUXKJMPVASFEM-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 128.04 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	714.84
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate?

The IUPAC name of tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate (CID 176923567) is tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate?

The canonical SMILES for tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate is CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CCC(Oc2ccnc3c2CN(Cc2cnn(C(=O)OC(C)(C)C)c2)CC3)CC1)C(C)C.

What is the InChIKey of tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate?

The InChIKey is ZVUXKJMPVASFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47FN8O5/c1-7-46(25(2)3)36(48)29-18-27(39)8-9-32(29)51-34-20-40-24-42-35(34)45-16-11-28(12-17-45)50-33-10-14-41-31-13-15-44(23-30(31)33)21-26-19-43-47(22-26)37(49)52-38(4,5)6/h8-10,14,18-20,22,24-25,28H,7,11-13,15-17,21,23H2,1-6H3.

What are the key properties of tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate?

tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate has a molecular weight of 714.84 g/mol, XLogP of 6.26, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate is sourced from PubChem (CID 176923567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).