(5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C20H28N4O2 — CID 124797839

IUPAC(5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCOc1ncccc1CN1Cc2cncn2[C@H](COCC2CCCC2)C1
InChIInChI=1S/C20H28N4O2/c1-25-20-17(7-4-8-22-20)10-23-11-18-9-21-15-24(18)19(12-23)14-26-13-16-5-2-3-6-16/h4,7-9,15-16,19H,2-3,5-6,10-14H2,1H3/t19-/m0/s1
InChIKeyWSGPHPQLRULAOQ-IBGZPJMESA-N
MW356.47 g/mol
LogP3.05
Rot. Bonds7

About (5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

(5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 124797839) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name(5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID124797839
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCOc1ncccc1CN1Cc2cncn2[C@H](COCC2CCCC2)C1
InChIInChI=1S/C20H28N4O2/c1-25-20-17(7-4-8-22-20)10-23-11-18-9-21-15-24(18)19(12-23)14-26-13-16-5-2-3-6-16/h4,7-9,15-16,19H,2-3,5-6,10-14H2,1H3/t19-/m0/s1
InChIKeyWSGPHPQLRULAOQ-IBGZPJMESA-N
XLogP3.05
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of (5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 124797839) is (5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for (5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for (5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is COc1ncccc1CN1Cc2cncn2[C@H](COCC2CCCC2)C1.
What is the InChIKey of (5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is WSGPHPQLRULAOQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28N4O2/c1-25-20-17(7-4-8-22-20)10-23-11-18-9-21-15-24(18)19(12-23)14-26-13-16-5-2-3-6-16/h4,7-9,15-16,19H,2-3,5-6,10-14H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
(5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 356.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 124797839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).