(7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C16H26N4O — CID 97386239

IUPAC(7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCn1ccnc1CN1CCN2C[C@H](OCC3CC3)C[C@H]2C1
InChIInChI=1S/C16H26N4O/c1-18-5-4-17-16(18)11-19-6-7-20-10-15(8-14(20)9-19)21-12-13-2-3-13/h4-5,13-15H,2-3,6-12H2,1H3/t14-,15+/m0/s1
InChIKeyPTUYKIVDYIPRSR-LSDHHAIUSA-N
MW290.41 g/mol
LogP1.11
Rot. Bonds5

About (7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 97386239) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID97386239
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCn1ccnc1CN1CCN2C[C@H](OCC3CC3)C[C@H]2C1
InChIInChI=1S/C16H26N4O/c1-18-5-4-17-16(18)11-19-6-7-20-10-15(8-14(20)9-19)21-12-13-2-3-13/h4-5,13-15H,2-3,6-12H2,1H3/t14-,15+/m0/s1
InChIKeyPTUYKIVDYIPRSR-LSDHHAIUSA-N
XLogP1.11
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]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

(4aR,7aS)-4-[(1-methylimidazol-2-yl)methyl]-6-(2-methylpropyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775144
(3R,3aS,7aR)-N,N-diethyl-1-[(1-methylimidazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
CID 97460287
(3S,3aR,7aS)-1-[(1-methylimidazol-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460310
(3aR,7aS)-5-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97508589
1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 146123976
(3S)-N,N-diethyl-1-[(1-methylimidazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
CID 134689925
6-Methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 25209511
2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]-5-ethyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 139297485
6-Methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride
CID 142795117
5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 145201981
Propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
CID 160701150
1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine
CID 165102198

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 97386239) is (7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Cn1ccnc1CN1CCN2C[C@H](OCC3CC3)C[C@H]2C1.
What is the InChIKey of (7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PTUYKIVDYIPRSR-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-5-4-17-16(18)11-19-6-7-20-10-15(8-14(20)9-19)21-12-13-2-3-13/h4-5,13-15H,2-3,6-12H2,1H3/t14-,15+/m0/s1.
What are the key properties of (7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 290.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-(cyclopropylmethoxy)-2-[(1-methylimidazol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 97386239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).