(4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine

C16H25N3O — CID 167973729

IUPAC(4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
SMILESCc1nc(C(C)C)ccc1CN1CCN[C@@H]2COC[C@@H]21
InChIInChI=1S/C16H25N3O/c1-11(2)14-5-4-13(12(3)18-14)8-19-7-6-17-15-9-20-10-16(15)19/h4-5,11,15-17H,6-10H2,1-3H3/t15-,16+/m1/s1
InChIKeyAJEZGONCLWQAJZ-CVEARBPZSA-N
MW275.40 g/mol
LogP1.69
Rot. Bonds3

About (4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine

(4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine (PubChem CID 167973729) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine.

Molecular Properties

Compound Name(4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
PubChem CID167973729
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
SMILESCc1nc(C(C)C)ccc1CN1CCN[C@@H]2COC[C@@H]21
InChIInChI=1S/C16H25N3O/c1-11(2)14-5-4-13(12(3)18-14)8-19-7-6-17-15-9-20-10-16(15)19/h4-5,11,15-17H,6-10H2,1-3H3/t15-,16+/m1/s1
InChIKeyAJEZGONCLWQAJZ-CVEARBPZSA-N
XLogP1.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine 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

4-ethyl-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine
CID 170737886
1H-imidazol-2-yl-[1-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 154760465
(3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine
CID 16742169
2-methyl-3-piperidin-4-yl-6-propan-2-ylpyridine
CID 139410159
5-[(6-bromo-2-methyl-3-pyridinyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 168939248
2-methyl-3,6-di(propan-2-yl)pyridine
CID 20738069
6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine
CID 134555282
N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 118617228
5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096296
(4aS,7aR)-4-[(4-methylphenyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide;dihydrochloride
CID 112706821
2-(oxetan-3-yl)-4-propan-2-ylpyrimidine
CID 167163743
2-ethyl-6-propan-2-yl-1,5-naphthyridine
CID 166147038

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
The IUPAC name of (4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine (CID 167973729) is (4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine.
What is the SMILES notation for (4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
The canonical SMILES for (4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine is Cc1nc(C(C)C)ccc1CN1CCN[C@@H]2COC[C@@H]21.
What is the InChIKey of (4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
The InChIKey is AJEZGONCLWQAJZ-CVEARBPZSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)14-5-4-13(12(3)18-14)8-19-7-6-17-15-9-20-10-16(15)19/h4-5,11,15-17H,6-10H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of (4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine?
(4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine has a molecular weight of 275.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-4-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazine is sourced from PubChem (CID 167973729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).