methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

C34H35N7O4 — CID 130347457

IUPACmethyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](c2nc3nccnc3[nH]2)CO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H35N7O4/c1-44-34(43)39-29(28(23-11-4-2-5-12-23)24-13-6-3-7-14-24)33(42)38-26-15-9-8-10-22(26)16-17-25-20-37-27(21-45-25)30-40-31-32(41-30)36-19-18-35-31/h2-15,18-19,25,27-29,37H,16-17,20-21H2,1H3,(H,38,42)(H,39,43)(H,35,36,40,41)/t25-,27+,29?/m1/s1
InChIKeyZZKVMPOKAZDBIB-KRYHRGCLSA-N
MW605.70 g/mol
LogP4.51
Rot. Bonds10

About methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate (PubChem CID 130347457) has the molecular formula C34H35N7O4 and a molecular weight of 605.70 g/mol. Its IUPAC name is methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
PubChem CID130347457
Molecular FormulaC34H35N7O4
Molecular Weight605.70 g/mol
Exact Mass605.28
IUPAC Namemethyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](c2nc3nccnc3[nH]2)CO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H35N7O4/c1-44-34(43)39-29(28(23-11-4-2-5-12-23)24-13-6-3-7-14-24)33(42)38-26-15-9-8-10-22(26)16-17-25-20-37-27(21-45-25)30-40-31-32(41-30)36-19-18-35-31/h2-15,18-19,25,27-29,37H,16-17,20-21H2,1H3,(H,38,42)(H,39,43)(H,35,36,40,41)/t25-,27+,29?/m1/s1
InChIKeyZZKVMPOKAZDBIB-KRYHRGCLSA-N
XLogP4.51
TPSA143.15 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.70
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate (CID 130347457) is methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate is COC(=O)NC(C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](c2nc3nccnc3[nH]2)CO1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
The InChIKey is ZZKVMPOKAZDBIB-KRYHRGCLSA-N. The full InChI is InChI=1S/C34H35N7O4/c1-44-34(43)39-29(28(23-11-4-2-5-12-23)24-13-6-3-7-14-24)33(42)38-26-15-9-8-10-22(26)16-17-25-20-37-27(21-45-25)30-40-31-32(41-30)36-19-18-35-31/h2-15,18-19,25,27-29,37H,16-17,20-21H2,1H3,(H,38,42)(H,39,43)(H,35,36,40,41)/t25-,27+,29?/m1/s1.
What are the key properties of methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate has a molecular weight of 605.70 g/mol, XLogP of 4.51, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-[2-[(2R,5R)-5-(1H-imidazo[4,5-b]pyrazin-2-yl)morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate is sourced from PubChem (CID 130347457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).