tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate

C24H33N7O4 — CID 167538107

IUPACtert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)CC1
InChIInChI=1S/C24H33N7O4/c1-24(2,3)35-23(33)31-8-6-30(7-9-31)20-16-27-22(25)21(28-20)19(32)14-17-15-26-5-4-18(17)29-10-12-34-13-11-29/h4-5,15-16H,6-14H2,1-3H3,(H2,25,27)
InChIKeyXTHHHFCOHCXTCK-UHFFFAOYSA-N
MW483.57 g/mol
LogP1.77
Rot. Bonds5

About tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate (PubChem CID 167538107) has the molecular formula C24H33N7O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate
PubChem CID167538107
Molecular FormulaC24H33N7O4
Molecular Weight483.57 g/mol
Exact Mass483.26
IUPAC Nametert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)CC1
InChIInChI=1S/C24H33N7O4/c1-24(2,3)35-23(33)31-8-6-30(7-9-31)20-16-27-22(25)21(28-20)19(32)14-17-15-26-5-4-18(17)29-10-12-34-13-11-29/h4-5,15-16H,6-14H2,1-3H3,(H2,25,27)
InChIKeyXTHHHFCOHCXTCK-UHFFFAOYSA-N
XLogP1.77
TPSA127.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167691905
tert-butyl 1-(aminomethyl)-6-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 167628486
tert-butyl N-[5-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 167555274
1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167672209
1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167680699
1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167618356
methyl (2S)-2-amino-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]propanoate
CID 167597149
1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one
CID 167550963
(2S)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-2-(methylamino)propanoic acid
CID 167698926
1-[3-amino-6-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167679439
bis(tert-butyl 4-(3-chloro-4-pyridinyl)-1,4-diazepane-1-carboxylate);oxolane
CID 158025291
benzyl (3R)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenoxy]pyrrolidine-1-carboxylate
CID 167545975

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate (CID 167538107) is tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)CC1.
What is the InChIKey of tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate?
The InChIKey is XTHHHFCOHCXTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4/c1-24(2,3)35-23(33)31-8-6-30(7-9-31)20-16-27-22(25)21(28-20)19(32)14-17-15-26-5-4-18(17)29-10-12-34-13-11-29/h4-5,15-16H,6-14H2,1-3H3,(H2,25,27).
What are the key properties of tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate has a molecular weight of 483.57 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 167538107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).