1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one

C18H29N5O2 — CID 124997503

IUPAC1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESNc1cnc(C[C@H]2CCCN(C(=O)CCN3CCOCC3)CC2)cn1
InChIInChI=1S/C18H29N5O2/c19-17-14-20-16(13-21-17)12-15-2-1-5-23(7-3-15)18(24)4-6-22-8-10-25-11-9-22/h13-15H,1-12H2,(H2,19,21)/t15-/m0/s1
InChIKeyRAQVGTMBXJQGOH-HNNXBMFYSA-N
MW347.46 g/mol
LogP0.95
Rot. Bonds5

About 1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one

1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 124997503) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID124997503
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESNc1cnc(C[C@H]2CCCN(C(=O)CCN3CCOCC3)CC2)cn1
InChIInChI=1S/C18H29N5O2/c19-17-14-20-16(13-21-17)12-15-2-1-5-23(7-3-15)18(24)4-6-22-8-10-25-11-9-22/h13-15H,1-12H2,(H2,19,21)/t15-/m0/s1
InChIKeyRAQVGTMBXJQGOH-HNNXBMFYSA-N
XLogP0.95
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one 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

1-[(4R)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-(oxan-4-yl)ethanone
CID 124991729
1-[(4R)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124966703
[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124961132
[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 124948490
5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine
CID 103056325
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70753428
(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide
CID 124961659
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422617
1-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 125002793
1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 125002794
1-(4-aminopiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 39311838
5-[[(4S)-1-(1H-pyrazol-4-ylsulfonyl)azepan-4-yl]methyl]pyrazin-2-amine
CID 124943744

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one (CID 124997503) is 1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one is Nc1cnc(C[C@H]2CCCN(C(=O)CCN3CCOCC3)CC2)cn1.
What is the InChIKey of 1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is RAQVGTMBXJQGOH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N5O2/c19-17-14-20-16(13-21-17)12-15-2-1-5-23(7-3-15)18(24)4-6-22-8-10-25-11-9-22/h13-15H,1-12H2,(H2,19,21)/t15-/m0/s1.
What are the key properties of 1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 347.46 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 124997503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).