(3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C19H22ClFN2O2 — CID 110211426

IUPAC(3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESC[C@@H]1CN2C[C@H](O)CC2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C19H22ClFN2O2/c1-12-8-23-10-15(24)7-14(23)9-22(12)11-16-3-5-19(25-16)13-2-4-18(21)17(20)6-13/h2-6,12,14-15,24H,7-11H2,1H3/t12-,14?,15-/m1/s1
InChIKeyZIENODVQWPXTOT-SULGFLJSSA-N
MW364.85 g/mol
LogP3.38
Rot. Bonds3

About (3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 110211426) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is (3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID110211426
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name(3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESC[C@@H]1CN2C[C@H](O)CC2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C19H22ClFN2O2/c1-12-8-23-10-15(24)7-14(23)9-22(12)11-16-3-5-19(25-16)13-2-4-18(21)17(20)6-13/h2-6,12,14-15,24H,7-11H2,1H3/t12-,14?,15-/m1/s1
InChIKeyZIENODVQWPXTOT-SULGFLJSSA-N
XLogP3.38
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol 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

(3S,7R)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211348
(3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92604080
(3R,7R,8aS)-3-methyl-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857033
(3S,7R,8aR)-2-[(3,4-dichlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95792254
(3S,7R,8aR)-2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95792258
(3R,7R,8aS)-2-[(3-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857054
(3S,7R,8aR)-2-[(2-fluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95856971
(3S,7R,8aS)-3-methyl-2-[(4-methylsulfanylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857008
(3S,7R)-3-methyl-2-[(4-methylsulfanylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110225834
(3S,7R)-3-methyl-2-[(4-morpholin-4-ylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211341
(3R,7R)-3-methyl-2-[(4-morpholin-4-ylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211417
(3R,7R)-2-[[1-[(3,4-dichlorophenyl)methyl]pyrrol-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 46960337

Frequently Asked Questions

What is the IUPAC name of (3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 110211426) is (3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is C[C@@H]1CN2C[C@H](O)CC2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of (3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is ZIENODVQWPXTOT-SULGFLJSSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-12-8-23-10-15(24)7-14(23)9-22(12)11-16-3-5-19(25-16)13-2-4-18(21)17(20)6-13/h2-6,12,14-15,24H,7-11H2,1H3/t12-,14?,15-/m1/s1.
What are the key properties of (3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 364.85 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 110211426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).