3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one

C23H26N4O2 — CID 141376497

IUPAC3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one
SMILESCc1cn2cc(C3Cc4ccc(N5CCN(C)CC5)cc4OC3=O)cc2c(C)n1
InChIInChI=1S/C23H26N4O2/c1-15-13-27-14-18(11-21(27)16(2)24-15)20-10-17-4-5-19(12-22(17)29-23(20)28)26-8-6-25(3)7-9-26/h4-5,11-14,20H,6-10H2,1-3H3
InChIKeyOZADKHAKILTORB-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.95
Rot. Bonds2

About 3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one

3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one (PubChem CID 141376497) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one
PubChem CID141376497
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one
SMILESCc1cn2cc(C3Cc4ccc(N5CCN(C)CC5)cc4OC3=O)cc2c(C)n1
InChIInChI=1S/C23H26N4O2/c1-15-13-27-14-18(11-21(27)16(2)24-15)20-10-17-4-5-19(12-22(17)29-23(20)28)26-8-6-25(3)7-9-26/h4-5,11-14,20H,6-10H2,1-3H3
InChIKeyOZADKHAKILTORB-UHFFFAOYSA-N
XLogP2.95
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.95
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-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
The IUPAC name of 3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one (CID 141376497) is 3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one is Cc1cn2cc(C3Cc4ccc(N5CCN(C)CC5)cc4OC3=O)cc2c(C)n1.
What is the InChIKey of 3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
The InChIKey is OZADKHAKILTORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-13-27-14-18(11-21(27)16(2)24-15)20-10-17-4-5-19(12-22(17)29-23(20)28)26-8-6-25(3)7-9-26/h4-5,11-14,20H,6-10H2,1-3H3.
What are the key properties of 3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one has a molecular weight of 390.49 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 141376497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).