(3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C19H24FN3O — CID 92604104

IUPAC(3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-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)C[C@@H]2CN1Cc1cccn1-c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-14-10-22-13-19(24)9-18(22)12-21(14)11-17-3-2-8-23(17)16-6-4-15(20)5-7-16/h2-8,14,18-19,24H,9-13H2,1H3/t14-,18+,19+/m0/s1
InChIKeyYUCPVUGLAQGFPN-GDIGMMSISA-N
MW329.42 g/mol
LogP2.26
Rot. Bonds3

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

(3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 92604104) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is (3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID92604104
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name(3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-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)C[C@@H]2CN1Cc1cccn1-c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-14-10-22-13-19(24)9-18(22)12-21(14)11-17-3-2-8-23(17)16-6-4-15(20)5-7-16/h2-8,14,18-19,24H,9-13H2,1H3/t14-,18+,19+/m0/s1
InChIKeyYUCPVUGLAQGFPN-GDIGMMSISA-N
XLogP2.26
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-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

Frequently Asked Questions

What is the IUPAC name of (3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 92604104) is (3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-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 (3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-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)C[C@@H]2CN1Cc1cccn1-c1ccc(F)cc1.
What is the InChIKey of (3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is YUCPVUGLAQGFPN-GDIGMMSISA-N. The full InChI is InChI=1S/C19H24FN3O/c1-14-10-22-13-19(24)9-18(22)12-21(14)11-17-3-2-8-23(17)16-6-4-15(20)5-7-16/h2-8,14,18-19,24H,9-13H2,1H3/t14-,18+,19+/m0/s1.
What are the key properties of (3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-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 329.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R,8aR)-2-[[1-(4-fluorophenyl)pyrrol-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 92604104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).