(3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C18H19N5O3 — CID 124893910

IUPAC(3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1ccnc(OC[C@@H]2CN(C(=O)c3occc3C)Cc3cncn32)n1
InChIInChI=1S/C18H19N5O3/c1-12-4-6-25-16(12)17(24)22-8-14-7-19-11-23(14)15(9-22)10-26-18-20-5-3-13(2)21-18/h3-7,11,15H,8-10H2,1-2H3/t15-/m0/s1
InChIKeyZYUGKOZMSCIPMQ-HNNXBMFYSA-N
MW353.38 g/mol
LogP2.16
Rot. Bonds4

About (3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

(3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 124893910) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID124893910
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name(3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1ccnc(OC[C@@H]2CN(C(=O)c3occc3C)Cc3cncn32)n1
InChIInChI=1S/C18H19N5O3/c1-12-4-6-25-16(12)17(24)22-8-14-7-19-11-23(14)15(9-22)10-26-18-20-5-3-13(2)21-18/h3-7,11,15H,8-10H2,1-2H3/t15-/m0/s1
InChIKeyZYUGKOZMSCIPMQ-HNNXBMFYSA-N
XLogP2.16
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

(3-methylfuran-2-yl)-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 131659969
(4-fluoro-2-methylphenyl)-[(5R)-5-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124789315
(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124912265
[(5S)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 124810586
(3-methylfuran-2-yl)-[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 133140267
1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124795588
2-methylsulfonyl-1-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 133139399
2-methylsulfonyl-1-[(5R)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 124783000
[(5R)-5-(cyclopentylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 124794206
(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124788803
N-cyclopentyl-5-(3-methylfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693042
[(3aS,6aS)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 124893256

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 124893910) is (3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is Cc1ccnc(OC[C@@H]2CN(C(=O)c3occc3C)Cc3cncn32)n1.
What is the InChIKey of (3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is ZYUGKOZMSCIPMQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-4-6-25-16(12)17(24)22-8-14-7-19-11-23(14)15(9-22)10-26-18-20-5-3-13(2)21-18/h3-7,11,15H,8-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 353.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 124893910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).