3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one

C23H25N3O3 — CID 141376384

IUPAC3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one
SMILESCc1cc2oc(C3Cc4ccc(N5CCN(C)CC5)cc4OC3=O)cc2c(C)n1
InChIInChI=1S/C23H25N3O3/c1-14-10-21-18(15(2)24-14)13-22(28-21)19-11-16-4-5-17(12-20(16)29-23(19)27)26-8-6-25(3)7-9-26/h4-5,10,12-13,19H,6-9,11H2,1-3H3
InChIKeyVPUAKGQAPPEGER-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.44
Rot. Bonds2

About 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one

3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one (PubChem CID 141376384) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one
PubChem CID141376384
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one
SMILESCc1cc2oc(C3Cc4ccc(N5CCN(C)CC5)cc4OC3=O)cc2c(C)n1
InChIInChI=1S/C23H25N3O3/c1-14-10-21-18(15(2)24-14)13-22(28-21)19-11-16-4-5-17(12-20(16)29-23(19)27)26-8-6-25(3)7-9-26/h4-5,10,12-13,19H,6-9,11H2,1-3H3
InChIKeyVPUAKGQAPPEGER-UHFFFAOYSA-N
XLogP3.44
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one
CID 141376412
3-(4-methyl-1,3-benzoxazol-2-yl)-7-piperazin-1-yl-3,4-dihydrochromen-2-one;hydrochloride
CID 141376481
3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-yl-3,4-dihydrochromen-2-one
CID 141376524
3-(3-fluoro-4-pyridinyl)-7-piperazin-1-yl-3,4-dihydrochromen-2-one
CID 141376463
4-methyl-2-[7-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-thiazole
CID 141376544
3-(2-methyl-1,3-benzothiazol-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]-3,4-dihydrochromen-2-one
CID 141376630
3-(6-methoxy-2-pyridinyl)-7-[(3S)-3-methylpiperazin-1-yl]-3,4-dihydrochromen-2-one
CID 141376420
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-indolizin-2-yl-3,4-dihydrochromen-2-one
CID 141376632
4-[2-(methylamino)ethyl]-7-(4-methylpiperazin-1-yl)chromen-2-one
CID 155268009
2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
CID 69171507
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
The IUPAC name of 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one (CID 141376384) is 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one is Cc1cc2oc(C3Cc4ccc(N5CCN(C)CC5)cc4OC3=O)cc2c(C)n1.
What is the InChIKey of 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
The InChIKey is VPUAKGQAPPEGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14-10-21-18(15(2)24-14)13-22(28-21)19-11-16-4-5-17(12-20(16)29-23(19)27)26-8-6-25(3)7-9-26/h4-5,10,12-13,19H,6-9,11H2,1-3H3.
What are the key properties of 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one?
3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylfuro[3,2-c]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 141376384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).