N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide

C15H20N4O4 — CID 124721227

IUPACN-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide
SMILESCN1C[C@H]2CN(C(=O)CCNC(=O)c3ccco3)CCN2C1=O
InChIInChI=1S/C15H20N4O4/c1-17-9-11-10-18(6-7-19(11)15(17)22)13(20)4-5-16-14(21)12-3-2-8-23-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,16,21)/t11-/m0/s1
InChIKeyAAKKVNCAFMRECH-NSHDSACASA-N
MW320.35 g/mol
LogP-0.02
Rot. Bonds4

About N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide

N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide (PubChem CID 124721227) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide
PubChem CID124721227
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC NameN-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide
SMILESCN1C[C@H]2CN(C(=O)CCNC(=O)c3ccco3)CCN2C1=O
InChIInChI=1S/C15H20N4O4/c1-17-9-11-10-18(6-7-19(11)15(17)22)13(20)4-5-16-14(21)12-3-2-8-23-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,16,21)/t11-/m0/s1
InChIKeyAAKKVNCAFMRECH-NSHDSACASA-N
XLogP-0.02
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
N-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]furan-2-carboxamide
CID 120657817
N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 119479743
N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 43044219
N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 79030088
2-[1-[3-(furan-2-carbonylamino)propanoyl]piperidin-4-yl]-2-methoxyacetic acid
CID 154872226
(3R,4R)-4-cyclopropyl-1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 120978207
N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 39510053
1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
CID 55883255
N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 46410154
methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 43409956
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467

Frequently Asked Questions

What is the IUPAC name of N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide (CID 124721227) is N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide is CN1C[C@H]2CN(C(=O)CCNC(=O)c3ccco3)CCN2C1=O.
What is the InChIKey of N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is AAKKVNCAFMRECH-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O4/c1-17-9-11-10-18(6-7-19(11)15(17)22)13(20)4-5-16-14(21)12-3-2-8-23-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,16,21)/t11-/m0/s1.
What are the key properties of N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 124721227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).