(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C19H25N3O3S — CID 124788803

IUPAC(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1ccc(C(=O)N2Cc3cncn3[C@H](COCC3CCOCC3)C2)s1
InChIInChI=1S/C19H25N3O3S/c1-14-2-3-18(26-14)19(23)21-9-16-8-20-13-22(16)17(10-21)12-25-11-15-4-6-24-7-5-15/h2-3,8,13,15,17H,4-7,9-12H2,1H3/t17-/m0/s1
InChIKeyBTCYWEJITNZMEP-KRWDZBQOSA-N
MW375.49 g/mol
LogP2.89
Rot. Bonds5

About (5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 124788803) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID124788803
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1ccc(C(=O)N2Cc3cncn3[C@H](COCC3CCOCC3)C2)s1
InChIInChI=1S/C19H25N3O3S/c1-14-2-3-18(26-14)19(23)21-9-16-8-20-13-22(16)17(10-21)12-25-11-15-4-6-24-7-5-15/h2-3,8,13,15,17H,4-7,9-12H2,1H3/t17-/m0/s1
InChIKeyBTCYWEJITNZMEP-KRWDZBQOSA-N
XLogP2.89
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 124788803) is (5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is Cc1ccc(C(=O)N2Cc3cncn3[C@H](COCC3CCOCC3)C2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is BTCYWEJITNZMEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-2-3-18(26-14)19(23)21-9-16-8-20-13-22(16)17(10-21)12-25-11-15-4-6-24-7-5-15/h2-3,8,13,15,17H,4-7,9-12H2,1H3/t17-/m0/s1.
What are the key properties of (5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 375.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 124788803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).