3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one

C24H28N4O2 — CID 141376445

IUPAC3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one
SMILESCc1cn2cc(C3Cc4ccc(N5CCN(C(C)C)CC5)cc4OC3=O)cc2cn1
InChIInChI=1S/C24H28N4O2/c1-16(2)26-6-8-27(9-7-26)20-5-4-18-11-22(24(29)30-23(18)12-20)19-10-21-13-25-17(3)14-28(21)15-19/h4-5,10,12-16,22H,6-9,11H2,1-3H3
InChIKeyITPNIIUGDXRFJJ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.42
Rot. Bonds3

About 3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one

3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one (PubChem CID 141376445) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one
PubChem CID141376445
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one
SMILESCc1cn2cc(C3Cc4ccc(N5CCN(C(C)C)CC5)cc4OC3=O)cc2cn1
InChIInChI=1S/C24H28N4O2/c1-16(2)26-6-8-27(9-7-26)20-5-4-18-11-22(24(29)30-23(18)12-20)19-10-21-13-25-17(3)14-28(21)15-19/h4-5,10,12-16,22H,6-9,11H2,1-3H3
InChIKeyITPNIIUGDXRFJJ-UHFFFAOYSA-N
XLogP3.42
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
The IUPAC name of 3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one (CID 141376445) is 3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one is Cc1cn2cc(C3Cc4ccc(N5CCN(C(C)C)CC5)cc4OC3=O)cc2cn1.
What is the InChIKey of 3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
The InChIKey is ITPNIIUGDXRFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16(2)26-6-8-27(9-7-26)20-5-4-18-11-22(24(29)30-23(18)12-20)19-10-21-13-25-17(3)14-28(21)15-19/h4-5,10,12-16,22H,6-9,11H2,1-3H3.
What are the key properties of 3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one has a molecular weight of 404.51 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-propan-2-ylpiperazin-1-yl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 141376445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).