7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one

C20H19N3O3 — CID 175651576

IUPAC7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one
SMILESCc1ccc2cc(C(=O)N3CCN(c4ccccn4)CC3)oc(=O)c2c1
InChIInChI=1S/C20H19N3O3/c1-14-5-6-15-13-17(26-20(25)16(15)12-14)19(24)23-10-8-22(9-11-23)18-4-2-3-7-21-18/h2-7,12-13H,8-11H2,1H3
InChIKeyLFJZJQBUJSDZNH-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.46
Rot. Bonds2

About 7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one

7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one (PubChem CID 175651576) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one.

Molecular Properties

Compound Name7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one
PubChem CID175651576
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one
SMILESCc1ccc2cc(C(=O)N3CCN(c4ccccn4)CC3)oc(=O)c2c1
InChIInChI=1S/C20H19N3O3/c1-14-5-6-15-13-17(26-20(25)16(15)12-14)19(24)23-10-8-22(9-11-23)18-4-2-3-7-21-18/h2-7,12-13H,8-11H2,1H3
InChIKeyLFJZJQBUJSDZNH-UHFFFAOYSA-N
XLogP2.46
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-7-methylisochromen-1-one
CID 175651687
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17250311
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 75768589
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one
CID 1221111
(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53040756
6-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-1,4-benzoxazin-2-one
CID 39068797
2-(2,5-dimethylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione
CID 112790786

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one?
The IUPAC name of 7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one (CID 175651576) is 7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one.
What is the SMILES notation for 7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one?
The canonical SMILES for 7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one is Cc1ccc2cc(C(=O)N3CCN(c4ccccn4)CC3)oc(=O)c2c1.
What is the InChIKey of 7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one?
The InChIKey is LFJZJQBUJSDZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-5-6-15-13-17(26-20(25)16(15)12-14)19(24)23-10-8-22(9-11-23)18-4-2-3-7-21-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one?
7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one has a molecular weight of 349.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one is sourced from PubChem (CID 175651576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).