tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate

C44H47N3O6 — CID 86671058

IUPACtert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(-c5ccc(C6(NC(=O)OC(C)(C)C)CCC6)cc5)nccc4c3=O)cc2)CCC1
InChIInChI=1S/C44H47N3O6/c1-41(2,3)52-39(49)46-43(23-10-24-43)31-18-14-28(15-19-31)34-36(48)33-22-27-45-35(38(33)51-37(34)30-12-8-7-9-13-30)29-16-20-32(21-17-29)44(25-11-26-44)47-40(50)53-42(4,5)6/h7-9,12-22,27H,10-11,23-26H2,1-6H3,(H,46,49)(H,47,50)
InChIKeyTXUAMATXFQHVKC-UHFFFAOYSA-N
MW713.88 g/mol
LogP10.00
Rot. Bonds7

About tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate (PubChem CID 86671058) has the molecular formula C44H47N3O6 and a molecular weight of 713.88 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate
PubChem CID86671058
Molecular FormulaC44H47N3O6
Molecular Weight713.88 g/mol
Exact Mass713.35
IUPAC Nametert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(-c5ccc(C6(NC(=O)OC(C)(C)C)CCC6)cc5)nccc4c3=O)cc2)CCC1
InChIInChI=1S/C44H47N3O6/c1-41(2,3)52-39(49)46-43(23-10-24-43)31-18-14-28(15-19-31)34-36(48)33-22-27-45-35(38(33)51-37(34)30-12-8-7-9-13-30)29-16-20-32(21-17-29)44(25-11-26-44)47-40(50)53-42(4,5)6/h7-9,12-22,27H,10-11,23-26H2,1-6H3,(H,46,49)(H,47,50)
InChIKeyTXUAMATXFQHVKC-UHFFFAOYSA-N
XLogP10.00
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 510.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-[4-(8-methoxy-4-oxo-2-phenylpyrano[2,3-c]pyridin-3-yl)phenyl]cyclobutyl]carbamate
CID 67067750
tert-butyl N-[1-[4-(2-phenylfuro[3,2-b]pyridin-3-yl)phenyl]cyclobutyl]carbamate
CID 86674394
tert-butyl N-[1-[4-[6-oxo-8-phenyl-1-(2-trimethylsilylethoxymethyl)pyrano[2,3-e]benzimidazol-7-yl]phenyl]cyclobutyl]carbamate
CID 67067791
5-methyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-3-phenylfuro[3,2-c]pyridine-7-carboxylic acid
CID 67206597
tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamate
CID 67207846
[1-[4-(8-formyl-4-oxo-2-phenylchromen-3-yl)phenyl]cyclobutyl]carbamic acid
CID 154332496
tert-butyl N-[1-[4-(3-methyl-2-methylsulfonyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamate
CID 67206656
tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 67207219
3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one
CID 67067831
tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 67207519
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
tert-butyl N-[1-[4-[2-(3-acetamidophenyl)-7-phenylfuro[2,3-b]pyrazin-6-yl]phenyl]cyclobutyl]carbamate
CID 67205775

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate (CID 86671058) is tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(-c5ccc(C6(NC(=O)OC(C)(C)C)CCC6)cc5)nccc4c3=O)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate?
The InChIKey is TXUAMATXFQHVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47N3O6/c1-41(2,3)52-39(49)46-43(23-10-24-43)31-18-14-28(15-19-31)34-36(48)33-22-27-45-35(38(33)51-37(34)30-12-8-7-9-13-30)29-16-20-32(21-17-29)44(25-11-26-44)47-40(50)53-42(4,5)6/h7-9,12-22,27H,10-11,23-26H2,1-6H3,(H,46,49)(H,47,50).
What are the key properties of tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 713.88 g/mol, XLogP of 10.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-2-phenylpyrano[2,3-c]pyridin-8-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 86671058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).