[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone

C18H23ClN4O2 — CID 51389584

IUPAC[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
SMILESCc1nn(Cc2ccc(C(=O)N3CCN4CCC[C@H]4C3)o2)c(C)c1Cl
InChIInChI=1S/C18H23ClN4O2/c1-12-17(19)13(2)23(20-12)11-15-5-6-16(25-15)18(24)22-9-8-21-7-3-4-14(21)10-22/h5-6,14H,3-4,7-11H2,1-2H3/t14-/m0/s1
InChIKeyQNBUVCUSIRUOTM-AWEZNQCLSA-N
MW362.86 g/mol
LogP2.71
Rot. Bonds3

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

[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone (PubChem CID 51389584) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
PubChem CID51389584
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
SMILESCc1nn(Cc2ccc(C(=O)N3CCN4CCC[C@H]4C3)o2)c(C)c1Cl
InChIInChI=1S/C18H23ClN4O2/c1-12-17(19)13(2)23(20-12)11-15-5-6-16(25-15)18(24)22-9-8-21-7-3-4-14(21)10-22/h5-6,14H,3-4,7-11H2,1-2H3/t14-/m0/s1
InChIKeyQNBUVCUSIRUOTM-AWEZNQCLSA-N
XLogP2.71
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35334274
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 95590181
[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 5077587
[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 4107349
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
CID 19448398
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 95737072
ethyl 4-[1-(5-methoxyfuran-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45185738
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 98334363
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 24817677
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19448582
[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95749755
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylphenyl)methanone
CID 54906207

Frequently Asked Questions

What is the IUPAC name of [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone?
The IUPAC name of [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone (CID 51389584) is [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone.
What is the SMILES notation for [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone?
The canonical SMILES for [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone is Cc1nn(Cc2ccc(C(=O)N3CCN4CCC[C@H]4C3)o2)c(C)c1Cl.
What is the InChIKey of [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone?
The InChIKey is QNBUVCUSIRUOTM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-12-17(19)13(2)23(20-12)11-15-5-6-16(25-15)18(24)22-9-8-21-7-3-4-14(21)10-22/h5-6,14H,3-4,7-11H2,1-2H3/t14-/m0/s1.
What are the key properties of [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone?
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone has a molecular weight of 362.86 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone is sourced from PubChem (CID 51389584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).