5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one

C19H22N4O3 — CID 66699615

IUPAC5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n([C@H]3CCOC3)c2n1
InChIInChI=1S/C19H22N4O3/c1-11(2)12-4-5-16(25-3)14(8-12)15-9-20-17-18(21-15)23(19(24)22-17)13-6-7-26-10-13/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,20,22,24)/t13-/m0/s1
InChIKeyJLQWEBMTAPURRM-ZDUSSCGKSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds4

About 5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one

5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66699615) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66699615
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n([C@H]3CCOC3)c2n1
InChIInChI=1S/C19H22N4O3/c1-11(2)12-4-5-16(25-3)14(8-12)15-9-20-17-18(21-15)23(19(24)22-17)13-6-7-26-10-13/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,20,22,24)/t13-/m0/s1
InChIKeyJLQWEBMTAPURRM-ZDUSSCGKSA-N
XLogP2.88
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 66699615) is 5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one is COc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n([C@H]3CCOC3)c2n1.
What is the InChIKey of 5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is JLQWEBMTAPURRM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11(2)12-4-5-16(25-3)14(8-12)15-9-20-17-18(21-15)23(19(24)22-17)13-6-7-26-10-13/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,20,22,24)/t13-/m0/s1.
What are the key properties of 5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 354.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66699615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).