1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one

C20H18N4O2 — CID 74223826

IUPAC1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one
SMILESCc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C20H18N4O2/c1-12-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(12)19-13(2)23-11-18(25)24(19)3/h4-11,21H,1-3H3
InChIKeyMEPLNFVCJZPSHZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.73
Rot. Bonds3

About 1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one

1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one (PubChem CID 74223826) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one.

Molecular Properties

Compound Name1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one
PubChem CID74223826
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one
SMILESCc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C20H18N4O2/c1-12-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(12)19-13(2)23-11-18(25)24(19)3/h4-11,21H,1-3H3
InChIKeyMEPLNFVCJZPSHZ-UHFFFAOYSA-N
XLogP3.73
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one?
The IUPAC name of 1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one (CID 74223826) is 1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one.
What is the SMILES notation for 1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one?
The canonical SMILES for 1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one is Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncc(=O)n1C.
What is the InChIKey of 1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one?
The InChIKey is MEPLNFVCJZPSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(12)19-13(2)23-11-18(25)24(19)3/h4-11,21H,1-3H3.
What are the key properties of 1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one?
1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one has a molecular weight of 346.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]pyrazin-2-one is sourced from PubChem (CID 74223826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).