tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate

C37H45N5O5 — CID 71073695

About tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate (PubChem CID 71073695) has the molecular formula C37H45N5O5 and a molecular weight of 639.80 g/mol. Its IUPAC name is tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate
• PubChem CID: 71073695
• Molecular Formula: C37H45N5O5
• Molecular Weight: 639.80 g/mol
• Exact Mass: 639.34
• IUPAC Name: tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CCN(c2ncc3c(-c4ccccc4)c(-c4ccc(C5(NC(=O)OC(C)(C)C)CCC5)cc4)oc3n2)CC1
• InChI: InChI=1S/C37H45N5O5/c1-35(2,3)46-33(43)39-27-17-21-42(22-18-27)32-38-23-28-29(24-11-8-7-9-12-24)30(45-31(28)40-32)25-13-15-26(16-14-25)37(19-10-20-37)41-34(44)47-36(4,5)6/h7-9,11-16,23,27H,10,17-22H2,1-6H3,(H,39,43)(H,41,44)
• InChIKey: NYKDPWIHECADSF-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 118.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.80
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate (CID 71073695) is tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ncc3c(-c4ccccc4)c(-c4ccc(C5(NC(=O)OC(C)(C)C)CCC5)cc4)oc3n2)CC1.

What is the InChIKey of tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate?

The InChIKey is NYKDPWIHECADSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N5O5/c1-35(2,3)46-33(43)39-27-17-21-42(22-18-27)32-38-23-28-29(24-11-8-7-9-12-24)30(45-31(28)40-32)25-13-15-26(16-14-25)37(19-10-20-37)41-34(44)47-36(4,5)6/h7-9,11-16,23,27H,10,17-22H2,1-6H3,(H,39,43)(H,41,44).

What are the key properties of tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate?

tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate has a molecular weight of 639.80 g/mol, XLogP of 7.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 71073695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).