tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate

C30H41Cl2N5O4 — CID 134182959

IUPACtert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate
SMILESCc1nc(N2CCC3(CCC[C@H]3NC(=O)OC(C)(C)C)CC2)c(NC(=O)OC(C)(C)C)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C30H41Cl2N5O4/c1-18-23(19-10-8-11-20(31)22(19)32)35-24(36-27(39)41-29(5,6)7)25(33-18)37-16-14-30(15-17-37)13-9-12-21(30)34-26(38)40-28(2,3)4/h8,10-11,21H,9,12-17H2,1-7H3,(H,34,38)(H,35,36,39)/t21-/m1/s1
InChIKeyFFINETZLKGYEQL-OAQYLSRUSA-N
MW606.60 g/mol
LogP7.77
Rot. Bonds4

About tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate

tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate (PubChem CID 134182959) has the molecular formula C30H41Cl2N5O4 and a molecular weight of 606.60 g/mol. Its IUPAC name is tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate
PubChem CID134182959
Molecular FormulaC30H41Cl2N5O4
Molecular Weight606.60 g/mol
Exact Mass605.25
IUPAC Nametert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate
SMILESCc1nc(N2CCC3(CCC[C@H]3NC(=O)OC(C)(C)C)CC2)c(NC(=O)OC(C)(C)C)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C30H41Cl2N5O4/c1-18-23(19-10-8-11-20(31)22(19)32)35-24(36-27(39)41-29(5,6)7)25(33-18)37-16-14-30(15-17-37)13-9-12-21(30)34-26(38)40-28(2,3)4/h8,10-11,21H,9,12-17H2,1-7H3,(H,34,38)(H,35,36,39)/t21-/m1/s1
InChIKeyFFINETZLKGYEQL-OAQYLSRUSA-N
XLogP7.77
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.60
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate (CID 134182959) is tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate is Cc1nc(N2CCC3(CCC[C@H]3NC(=O)OC(C)(C)C)CC2)c(NC(=O)OC(C)(C)C)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate?
The InChIKey is FFINETZLKGYEQL-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H41Cl2N5O4/c1-18-23(19-10-8-11-20(31)22(19)32)35-24(36-27(39)41-29(5,6)7)25(33-18)37-16-14-30(15-17-37)13-9-12-21(30)34-26(38)40-28(2,3)4/h8,10-11,21H,9,12-17H2,1-7H3,(H,34,38)(H,35,36,39)/t21-/m1/s1.
What are the key properties of tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate?
tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate has a molecular weight of 606.60 g/mol, XLogP of 7.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]carbamate is sourced from PubChem (CID 134182959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).